6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine

C8H11ClN4OS — CID 134097445

IUPAC6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCS(=O)c1c(N)nc(NC2CC2)nc1Cl
InChIInChI=1S/C8H11ClN4OS/c1-15(14)5-6(9)12-8(13-7(5)10)11-4-2-3-4/h4H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyFJTVHYPGERVUJU-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.02
Rot. Bonds3

About 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine

6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine (PubChem CID 134097445) has the molecular formula C8H11ClN4OS and a molecular weight of 246.72 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine
PubChem CID134097445
Molecular FormulaC8H11ClN4OS
Molecular Weight246.72 g/mol
Exact Mass246.03
IUPAC Name6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCS(=O)c1c(N)nc(NC2CC2)nc1Cl
InChIInChI=1S/C8H11ClN4OS/c1-15(14)5-6(9)12-8(13-7(5)10)11-4-2-3-4/h4H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyFJTVHYPGERVUJU-UHFFFAOYSA-N
XLogP1.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine
CID 134097452
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 3081364
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
2-N-(4-aminocyclohexyl)-7H-purin-9-ium-2,6-diamine
CID 123563507

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine (CID 134097445) is 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine is CS(=O)c1c(N)nc(NC2CC2)nc1Cl.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine?
The InChIKey is FJTVHYPGERVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4OS/c1-15(14)5-6(9)12-8(13-7(5)10)11-4-2-3-4/h4H,2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine?
6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine has a molecular weight of 246.72 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine is sourced from PubChem (CID 134097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).