2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile

C17H18N4O — CID 133333373

IUPAC2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
SMILESCOc1ccnc(N2CCCC2C(C#N)c2ccccc2)n1
InChIInChI=1S/C17H18N4O/c1-22-16-9-10-19-17(20-16)21-11-5-8-15(21)14(12-18)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11H2,1H3
InChIKeyCWCUJWGSUPOAPP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile

2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile (PubChem CID 133333373) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
PubChem CID133333373
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
SMILESCOc1ccnc(N2CCCC2C(C#N)c2ccccc2)n1
InChIInChI=1S/C17H18N4O/c1-22-16-9-10-19-17(20-16)21-11-5-8-15(21)14(12-18)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11H2,1H3
InChIKeyCWCUJWGSUPOAPP-UHFFFAOYSA-N
XLogP2.76
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile 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

2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133461468
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
CID 133333339
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133428267
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 167971325
2-(4-methoxypyrimidin-2-yl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 133343956

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile (CID 133333373) is 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile is COc1ccnc(N2CCCC2C(C#N)c2ccccc2)n1.
What is the InChIKey of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The InChIKey is CWCUJWGSUPOAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-9-10-19-17(20-16)21-11-5-8-15(21)14(12-18)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11H2,1H3.
What are the key properties of 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile is sourced from PubChem (CID 133333373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).