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

C8H11ClN4O2S — CID 134097452

IUPAC6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1c(N)nc(NC2CC2)nc1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-16(14,15)5-6(9)12-8(13-7(5)10)11-4-2-3-4/h4H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyYCXCWPMJPZMOOM-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.69
Rot. Bonds3

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

6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine (PubChem CID 134097452) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine
PubChem CID134097452
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC Name6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1c(N)nc(NC2CC2)nc1Cl
InChIInChI=1S/C8H11ClN4O2S/c1-16(14,15)5-6(9)12-8(13-7(5)10)11-4-2-3-4/h4H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyYCXCWPMJPZMOOM-UHFFFAOYSA-N
XLogP0.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-cyclopropyl-5-methylsulfinylpyrimidine-2,4-diamine
CID 134097445
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
[2,6-diamino-4-(cyclopropylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate
CID 20572191
2-methyl-5-methylsulfonylpyrimidine-4,6-diamine
CID 20729792
4,6-dichloro-3-methylsulfonylpyridin-2-amine
CID 134119593
methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82309438
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
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine (CID 134097452) is 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine is CS(=O)(=O)c1c(N)nc(NC2CC2)nc1Cl.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine?
The InChIKey is YCXCWPMJPZMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c1-16(14,15)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-methylsulfonylpyrimidine-2,4-diamine?
6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine has a molecular weight of 262.72 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopropyl-5-methylsulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 134097452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).