6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

C20H28N4O3 — CID 112926246

IUPAC6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)cc(OC)c1OC
InChIInChI=1S/C20H28N4O3/c1-13-7-6-8-24(12-13)20-21-14(2)9-18(23-20)22-15-10-16(25-3)19(27-5)17(11-15)26-4/h9-11,13H,6-8,12H2,1-5H3,(H,21,22,23)
InChIKeyAVARTKPFXQQHNM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds6

About 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 112926246) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID112926246
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)cc(OC)c1OC
InChIInChI=1S/C20H28N4O3/c1-13-7-6-8-24(12-13)20-21-14(2)9-18(23-20)22-15-10-16(25-3)19(27-5)17(11-15)26-4/h9-11,13H,6-8,12H2,1-5H3,(H,21,22,23)
InChIKeyAVARTKPFXQQHNM-UHFFFAOYSA-N
XLogP3.79
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112909948

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (CID 112926246) is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is COc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is AVARTKPFXQQHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-7-6-8-24(12-13)20-21-14(2)9-18(23-20)22-15-10-16(25-3)19(27-5)17(11-15)26-4/h9-11,13H,6-8,12H2,1-5H3,(H,21,22,23).
What are the key properties of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112926246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).