[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine

C18H24N4 — CID 28904443

IUPAC[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1ccc(-c2cc(CN)nc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-3-5-15(6-4-13)17-11-16(12-19)20-18(21-17)22-9-7-14(2)8-10-22/h3-6,11,14H,7-10,12,19H2,1-2H3
InChIKeyBTHLWAPYNJTGSR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.15
Rot. Bonds3

About [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine

[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 28904443) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID28904443
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCc1ccc(-c2cc(CN)nc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-13-3-5-15(6-4-13)17-11-16(12-19)20-18(21-17)22-9-7-14(2)8-10-22/h3-6,11,14H,7-10,12,19H2,1-2H3
InChIKeyBTHLWAPYNJTGSR-UHFFFAOYSA-N
XLogP3.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
[2-(azepan-1-yl)-6-(4-fluorophenyl)pyrimidin-4-yl]methanamine
CID 28904578
[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022749
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
CID 82191781
4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
CID 2854001
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine (CID 28904443) is [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine is Cc1ccc(-c2cc(CN)nc(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is BTHLWAPYNJTGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-3-5-15(6-4-13)17-11-16(12-19)20-18(21-17)22-9-7-14(2)8-10-22/h3-6,11,14H,7-10,12,19H2,1-2H3.
What are the key properties of [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine?
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 296.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 28904443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).