[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine

C19H26N4 — CID 82191781

IUPAC[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCCc1ccc(-c2cc(C)nc(N3CCC(CN)CC3)n2)cc1
InChIInChI=1S/C19H26N4/c1-3-15-4-6-17(7-5-15)18-12-14(2)21-19(22-18)23-10-8-16(13-20)9-11-23/h4-7,12,16H,3,8-11,13,20H2,1-2H3
InChIKeyQZSGNECQJDJXSN-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.19
Rot. Bonds4

About [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine

[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 82191781) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID82191781
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCCc1ccc(-c2cc(C)nc(N3CCC(CN)CC3)n2)cc1
InChIInChI=1S/C19H26N4/c1-3-15-4-6-17(7-5-15)18-12-14(2)21-19(22-18)23-10-8-16(13-20)9-11-23/h4-7,12,16H,3,8-11,13,20H2,1-2H3
InChIKeyQZSGNECQJDJXSN-UHFFFAOYSA-N
XLogP3.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
[6-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 28904443
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
5-amino-1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]pyrazole-4-carbonitrile
CID 82192609
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800613
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 19621605
[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 71564106
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine (CID 82191781) is [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine is CCc1ccc(-c2cc(C)nc(N3CCC(CN)CC3)n2)cc1.
What is the InChIKey of [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is QZSGNECQJDJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-15-4-6-17(7-5-15)18-12-14(2)21-19(22-18)23-10-8-16(13-20)9-11-23/h4-7,12,16H,3,8-11,13,20H2,1-2H3.
What are the key properties of [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine?
[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 310.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 82191781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).