(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone

C19H22N4O — CID 112852618

IUPAC(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCC2)nc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C19H22N4O/c24-19(23-12-6-7-13-23)16-14-17(22-10-4-5-11-22)21-18(20-16)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyGETPRHVHRBALMQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.98
Rot. Bonds3

About (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone

(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 112852618) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID112852618
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCC2)nc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C19H22N4O/c24-19(23-12-6-7-13-23)16-14-17(22-10-4-5-11-22)21-18(20-16)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyGETPRHVHRBALMQ-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone 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

[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852741
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
CID 112853850
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone (CID 112852618) is (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(N2CCCC2)nc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GETPRHVHRBALMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(23-12-6-7-13-23)16-14-17(22-10-4-5-11-22)21-18(20-16)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 112852618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).