1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one

C25H30N4O — CID 146640819

IUPAC1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
SMILESCC(C)Cn1cc(-c2cncnc2)cc(NC2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C25H30N4O/c1-18(2)15-29-16-21(22-13-26-17-27-14-22)12-24(25(29)30)28-23-10-8-20(9-11-23)19-6-4-3-5-7-19/h3-7,12-14,16-18,20,23,28H,8-11,15H2,1-2H3
InChIKeyPGFMPGMRZOAYDU-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.10
Rot. Bonds6

About 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one

1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one (PubChem CID 146640819) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
PubChem CID146640819
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
SMILESCC(C)Cn1cc(-c2cncnc2)cc(NC2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C25H30N4O/c1-18(2)15-29-16-21(22-13-26-17-27-14-22)12-24(25(29)30)28-23-10-8-20(9-11-23)19-6-4-3-5-7-19/h3-7,12-14,16-18,20,23,28H,8-11,15H2,1-2H3
InChIKeyPGFMPGMRZOAYDU-UHFFFAOYSA-N
XLogP5.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one (CID 146640819) is 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one is CC(C)Cn1cc(-c2cncnc2)cc(NC2CCC(c3ccccc3)CC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one?
The InChIKey is PGFMPGMRZOAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18(2)15-29-16-21(22-13-26-17-27-14-22)12-24(25(29)30)28-23-10-8-20(9-11-23)19-6-4-3-5-7-19/h3-7,12-14,16-18,20,23,28H,8-11,15H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one?
1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one has a molecular weight of 402.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one is sourced from PubChem (CID 146640819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).