[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C24H26N4O2 — CID 15428768

IUPAC[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)15-20-16-22(27-24(25)26-20)18-11-13-28(14-12-18)23(29)19-5-3-2-4-6-19/h2-10,16,18H,11-15H2,1H3,(H2,25,26,27)
InChIKeyFKFHTWUPQQIISS-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.68
Rot. Bonds5

About [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 15428768) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID15428768
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)15-20-16-22(27-24(25)26-20)18-11-13-28(14-12-18)23(29)19-5-3-2-4-6-19/h2-10,16,18H,11-15H2,1H3,(H2,25,26,27)
InChIKeyFKFHTWUPQQIISS-UHFFFAOYSA-N
XLogP3.68
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

p-(18F)MPPF
CID 5352127
(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
[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
N-(2,6-dimethylphenyl)-4-[[4-propyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724859
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, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] N,N-diethylcarbamate
CID 127037136

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 15428768) is [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is COc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1.
What is the InChIKey of [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is FKFHTWUPQQIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)15-20-16-22(27-24(25)26-20)18-11-13-28(14-12-18)23(29)19-5-3-2-4-6-19/h2-10,16,18H,11-15H2,1H3,(H2,25,26,27).
What are the key properties of [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).