2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H24N4O — CID 109362757

IUPAC2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCCCc2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C19H24N4O/c1-15-21-17(14-18(22-15)23-12-5-6-13-23)19(24)20-11-7-10-16-8-3-2-4-9-16/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,24)
InChIKeyYWOOEJRJMBRDSO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.75
Rot. Bonds6

About 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109362757) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109362757
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCCCc2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C19H24N4O/c1-15-21-17(14-18(22-15)23-12-5-6-13-23)19(24)20-11-7-10-16-8-3-2-4-9-16/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,24)
InChIKeyYWOOEJRJMBRDSO-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109362757) is 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)NCCCc2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is YWOOEJRJMBRDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-21-17(14-18(22-15)23-12-5-6-13-23)19(24)20-11-7-10-16-8-3-2-4-9-16/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,20,24).
What are the key properties of 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).