4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

C16H19ClN4S — CID 19136527

IUPAC4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC1CCN(c2ncnc(Sc3ccc(Cl)cc3)c2N)CC1
InChIInChI=1S/C16H19ClN4S/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3
InChIKeyLIOFRNRIXVSBTG-UHFFFAOYSA-N
MW334.88 g/mol
LogP4.10
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19136527) has the molecular formula C16H19ClN4S and a molecular weight of 334.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19136527
Molecular FormulaC16H19ClN4S
Molecular Weight334.88 g/mol
Exact Mass334.10
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC1CCN(c2ncnc(Sc3ccc(Cl)cc3)c2N)CC1
InChIInChI=1S/C16H19ClN4S/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3
InChIKeyLIOFRNRIXVSBTG-UHFFFAOYSA-N
XLogP4.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
4-chloro-6-(4-methylazepan-1-yl)pyrimidin-5-amine
CID 63623719
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-chlorophenyl)sulfanylpyrimidin-5-amine
CID 19136655
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19140155
4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546792
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
CID 19136683
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358
1-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]azepane
CID 23488461
4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (CID 19136527) is 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is CC1CCN(c2ncnc(Sc3ccc(Cl)cc3)c2N)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is LIOFRNRIXVSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4S/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 334.88 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19136527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).