4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine

C17H22N4 — CID 112926053

IUPAC4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-7-6-10-21(12-13)16-11-14(2)18-17(20-16)19-15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3,(H,18,19,20)
InChIKeyWEAKNABYMCYFLP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.76
Rot. Bonds3

About 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine

4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 112926053) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID112926053
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-7-6-10-21(12-13)16-11-14(2)18-17(20-16)19-15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3,(H,18,19,20)
InChIKeyWEAKNABYMCYFLP-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926130
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926131
N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112924754
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
ethyl 2-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112926149
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (CID 112926053) is 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is Cc1cc(N2CCCC(C)C2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is WEAKNABYMCYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-7-6-10-21(12-13)16-11-14(2)18-17(20-16)19-15-8-4-3-5-9-15/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 112926053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).