6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

C21H30N4 — CID 112910958

IUPAC6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cccc2C(C)C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H30N4/c1-14(2)18-8-6-7-16(4)20(18)23-19-13-17(5)22-21(24-19)25-11-9-15(3)10-12-25/h6-8,13-15H,9-12H2,1-5H3,(H,22,23,24)
InChIKeyJAIKWGOKIKGYNF-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.20
Rot. Bonds4

About 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112910958) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112910958
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2c(C)cccc2C(C)C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H30N4/c1-14(2)18-8-6-7-16(4)20(18)23-19-13-17(5)22-21(24-19)25-11-9-15(3)10-12-25/h6-8,13-15H,9-12H2,1-5H3,(H,22,23,24)
InChIKeyJAIKWGOKIKGYNF-UHFFFAOYSA-N
XLogP5.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911012
6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109364180

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (CID 112910958) is 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cc(Nc2c(C)cccc2C(C)C)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is JAIKWGOKIKGYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-14(2)18-8-6-7-16(4)20(18)23-19-13-17(5)22-21(24-19)25-11-9-15(3)10-12-25/h6-8,13-15H,9-12H2,1-5H3,(H,22,23,24).
What are the key properties of 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112910958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).