6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine

C12H19ClN4S — CID 1475487

IUPAC6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NC2CCCCC2)n1
InChIInChI=1S/C12H19ClN4S/c1-14-12-16-10(13)9(18-2)11(17-12)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXSVSTNGNBGSPO-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine

6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 1475487) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID1475487
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NC2CCCCC2)n1
InChIInChI=1S/C12H19ClN4S/c1-14-12-16-10(13)9(18-2)11(17-12)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXSVSTNGNBGSPO-UHFFFAOYSA-N
XLogP3.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 1475487) is 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is CNc1nc(Cl)c(SC)c(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is NXSVSTNGNBGSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-14-12-16-10(13)9(18-2)11(17-12)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 286.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 1475487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).