1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one

C21H26N4O2 — CID 166271542

IUPAC1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2ccnc(NC3CCC(N4CCCC4=O)CC3)n2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-10-4-15(5-11-18)19-12-13-22-21(24-19)23-16-6-8-17(9-7-16)25-14-2-3-20(25)26/h4-5,10-13,16-17H,2-3,6-9,14H2,1H3,(H,22,23,24)
InChIKeyXAAMYEIDKDDRIX-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one

1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (PubChem CID 166271542) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
PubChem CID166271542
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2ccnc(NC3CCC(N4CCCC4=O)CC3)n2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-18-10-4-15(5-11-18)19-12-13-22-21(24-19)23-16-6-8-17(9-7-16)25-14-2-3-20(25)26/h4-5,10-13,16-17H,2-3,6-9,14H2,1H3,(H,22,23,24)
InChIKeyXAAMYEIDKDDRIX-UHFFFAOYSA-N
XLogP3.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
(3S)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-(oxan-4-yl)pyrrolidin-2-one
CID 164634792
3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 136582865
1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 168773763
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
3-(3-methylphenyl)-1-(oxan-4-yl)-4-[2-[[4-(2-oxopyrrolidin-1-yl)cyclohexyl]amino]pyrimidin-4-yl]imidazol-2-one
CID 11706672
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 168772681
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
N-cyclohexyl-4-[2-(4-iminocyclohexyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143376475
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 57444748

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one (CID 166271542) is 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is COc1ccc(-c2ccnc(NC3CCC(N4CCCC4=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
The InChIKey is XAAMYEIDKDDRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-18-10-4-15(5-11-18)19-12-13-22-21(24-19)23-16-6-8-17(9-7-16)25-14-2-3-20(25)26/h4-5,10-13,16-17H,2-3,6-9,14H2,1H3,(H,22,23,24).
What are the key properties of 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one?
1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one has a molecular weight of 366.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 166271542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).