4-chloro-6-methylsulfanylpyrimidine-2,5-diamine

C5H7ClN4S — CID 88712151

IUPAC4-chloro-6-methylsulfanylpyrimidine-2,5-diamine
SMILESCSc1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4S/c1-11-4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10)
InChIKeyKXYQDFKLWVAOHW-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.02
Rot. Bonds1

About 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine

4-chloro-6-methylsulfanylpyrimidine-2,5-diamine (PubChem CID 88712151) has the molecular formula C5H7ClN4S and a molecular weight of 190.66 g/mol. Its IUPAC name is 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-6-methylsulfanylpyrimidine-2,5-diamine
PubChem CID88712151
Molecular FormulaC5H7ClN4S
Molecular Weight190.66 g/mol
Exact Mass190.01
IUPAC Name4-chloro-6-methylsulfanylpyrimidine-2,5-diamine
SMILESCSc1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4S/c1-11-4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10)
InChIKeyKXYQDFKLWVAOHW-UHFFFAOYSA-N
XLogP1.02
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
4-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
6-Chloro-2-(3,3,3-trifluoropropylsulfanyl)pyrimidine-4,5-diamine
CID 141433924
[(5-Amino-6-chloropyrimidin-4-yl)sulfanyl]acetonitrile
CID 12379031
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
4,6-Dichloro-2-((3,3,3-trifluoropropyl)thio)pyrimidin-5-amine
CID 138110485
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine (CID 88712151) is 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine is CSc1nc(N)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine?
The InChIKey is KXYQDFKLWVAOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4S/c1-11-4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine?
4-chloro-6-methylsulfanylpyrimidine-2,5-diamine has a molecular weight of 190.66 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylsulfanylpyrimidine-2,5-diamine is sourced from PubChem (CID 88712151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).