4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine

C16H20N4S — CID 19140155

IUPAC4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
SMILESCC1CCCCN1c1ncnc(Sc2ccccc2)c1N
InChIInChI=1S/C16H20N4S/c1-12-7-5-6-10-20(12)15-14(17)16(19-11-18-15)21-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10,17H2,1H3
InChIKeyDUVBTGKDBHRPSW-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.59
Rot. Bonds3

About 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine

4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 19140155) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
PubChem CID19140155
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
SMILESCC1CCCCN1c1ncnc(Sc2ccccc2)c1N
InChIInChI=1S/C16H20N4S/c1-12-7-5-6-10-20(12)15-14(17)16(19-11-18-15)21-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10,17H2,1H3
InChIKeyDUVBTGKDBHRPSW-UHFFFAOYSA-N
XLogP3.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140241
4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140137
4-(4-methylphenyl)sulfanyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492126
4-(2-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140190
4-(2-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137626
4-(4-chlorophenyl)sulfanyl-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19136527
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140174

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine (CID 19140155) is 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine is CC1CCCCN1c1ncnc(Sc2ccccc2)c1N.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is DUVBTGKDBHRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-12-7-5-6-10-20(12)15-14(17)16(19-11-18-15)21-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10,17H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine?
4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine has a molecular weight of 300.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19140155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).