4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

C18H24N4S — CID 19140492

IUPAC4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C18H24N4S/c1-3-14-6-4-5-11-22(14)17-16(19)18(21-12-20-17)23-15-9-7-13(2)8-10-15/h7-10,12,14H,3-6,11,19H2,1-2H3
InChIKeyFQUALPINFRIREI-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.29
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 19140492) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
PubChem CID19140492
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCCC1CCCCN1c1ncnc(Sc2ccc(C)cc2)c1N
InChIInChI=1S/C18H24N4S/c1-3-14-6-4-5-11-22(14)17-16(19)18(21-12-20-17)23-15-9-7-13(2)8-10-15/h7-10,12,14H,3-6,11,19H2,1-2H3
InChIKeyFQUALPINFRIREI-UHFFFAOYSA-N
XLogP4.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19140155
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715
4-(2-ethylpiperidin-1-yl)-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19140445
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179
4-(4-methylphenyl)sulfanyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492126
6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19140494
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (CID 19140492) is 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is CCC1CCCCN1c1ncnc(Sc2ccc(C)cc2)c1N.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is FQUALPINFRIREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-3-14-6-4-5-11-22(14)17-16(19)18(21-12-20-17)23-15-9-7-13(2)8-10-15/h7-10,12,14H,3-6,11,19H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 328.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 19140492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).