CID 492773

6-chloro-2-[(6-methylpyrimidin-4-yl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C10H10ClN5S
SMILES
CC1=CC(=NC=N1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C10H10ClN5S/c1-6-2-7(14-5-13-6)4-17-10-15-8(11)3-9(12)16-10/h2-3,5H,4H2,1H3,(H2,12,15,16)
InChIKey
UCCUEIAROXLMIV-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6-methylpyrimidin-4-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.03455 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04183 155.2
[M+Na]+ 290.02377 166.7
[M-H]- 266.02727 156.9
[M+NH4]+ 285.06837 167.7
[M+K]+ 305.99771 159.7
[M+H-H2O]+ 250.03181 146.6
[M+HCOO]- 312.03275 166.2
[M+CH3COO]- 326.04840 166.4
[M+Na-2H]- 288.00922 159.2
[M]+ 267.03400 158.2
[M]- 267.03510 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe