N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

C17H22N4O — CID 112910270

IUPACN-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13-12-16(19-14-8-4-5-9-15(14)22-2)20-17(18-13)21-10-6-3-7-11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyPYERZIDFRWIPBG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.53
Rot. Bonds4

About N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112910270) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112910270
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13-12-16(19-14-8-4-5-9-15(14)22-2)20-17(18-13)21-10-6-3-7-11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyPYERZIDFRWIPBG-UHFFFAOYSA-N
XLogP3.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine
CID 112926765
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(2-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50944895
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112910270) is N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is COc1ccccc1Nc1cc(C)nc(N2CCCCC2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is PYERZIDFRWIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-12-16(19-14-8-4-5-9-15(14)22-2)20-17(18-13)21-10-6-3-7-11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112910270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).