4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one

C21H26N4O — CID 56882134

IUPAC4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(NCc2cnc(C3CCCCC3)nc2)CN1c1ccccc1
InChIInChI=1S/C21H26N4O/c26-20-11-18(15-25(20)19-9-5-2-6-10-19)22-12-16-13-23-21(24-14-16)17-7-3-1-4-8-17/h2,5-6,9-10,13-14,17-18,22H,1,3-4,7-8,11-12,15H2
InChIKeyPZUGTZVCNQWOIW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.42
Rot. Bonds5

About 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one

4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one (PubChem CID 56882134) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
PubChem CID56882134
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(NCc2cnc(C3CCCCC3)nc2)CN1c1ccccc1
InChIInChI=1S/C21H26N4O/c26-20-11-18(15-25(20)19-9-5-2-6-10-19)22-12-16-13-23-21(24-14-16)17-7-3-1-4-8-17/h2,5-6,9-10,13-14,17-18,22H,1,3-4,7-8,11-12,15H2
InChIKeyPZUGTZVCNQWOIW-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119111639
(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 164635792
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
CID 131925441
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 94824770
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403690
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 70745046

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one (CID 56882134) is 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one is O=C1CC(NCc2cnc(C3CCCCC3)nc2)CN1c1ccccc1.
What is the InChIKey of 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one?
The InChIKey is PZUGTZVCNQWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20-11-18(15-25(20)19-9-5-2-6-10-19)22-12-16-13-23-21(24-14-16)17-7-3-1-4-8-17/h2,5-6,9-10,13-14,17-18,22H,1,3-4,7-8,11-12,15H2.
What are the key properties of 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one?
4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 56882134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).