N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H24N4O — CID 112852282

IUPACN-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-2-3-11-20-19(24)16-14-17(23-12-7-8-13-23)22-18(21-16)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,20,24)
InChIKeyYRQZIGGBQHOHGD-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.27
Rot. Bonds6

About N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852282) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852282
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-2-3-11-20-19(24)16-14-17(23-12-7-8-13-23)22-18(21-16)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,20,24)
InChIKeyYRQZIGGBQHOHGD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851395
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853038
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 112852282) is N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is YRQZIGGBQHOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-3-11-20-19(24)16-14-17(23-12-7-8-13-23)22-18(21-16)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,20,24).
What are the key properties of N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).