[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C24H26N4O2 — CID 15428769

IUPAC[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27)
InChIKeyIFNSDHXVEWUUPZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.06
Rot. Bonds4

About [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 15428769) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID15428769
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27)
InChIKeyIFNSDHXVEWUUPZ-UHFFFAOYSA-N
XLogP4.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647878
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
2-(Azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 664371
[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-1-piperidyl]-(1,3-benzodioxol-5-yl)methanone
CID 10173681
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-3-methoxybenzamide
CID 27478437
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-4-(trifluoromethoxy)benzamide
CID 45485018

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 15428769) is [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is COc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is IFNSDHXVEWUUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-21(17-8-10-20(30-2)11-9-17)22(27-24(25)26-16)18-12-14-28(15-13-18)23(29)19-6-4-3-5-7-19/h3-11,18H,12-15H2,1-2H3,(H2,25,26,27).
What are the key properties of [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 402.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15428769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).