6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide

C19H24N4O2 — CID 70724558

IUPAC6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCCN1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c24-18(20-10-4-5-11-23-12-6-7-13-23)16-14-21-17(22-19(16)25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24)(H,21,22,25)
InChIKeyMTUFNMLLTPNJKB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds7

About 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide

6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70724558) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
PubChem CID70724558
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCCN1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H24N4O2/c24-18(20-10-4-5-11-23-12-6-7-13-23)16-14-21-17(22-19(16)25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24)(H,21,22,25)
InChIKeyMTUFNMLLTPNJKB-UHFFFAOYSA-N
XLogP2.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786227
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
CID 72869433
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70776573
N-[4-(methylamino)-4-oxobutyl]-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70765485
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175830935
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70783959
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648682
2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide (CID 70724558) is 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide is O=C(NCCCCN1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is MTUFNMLLTPNJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(20-10-4-5-11-23-12-6-7-13-23)16-14-21-17(22-19(16)25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,24)(H,21,22,25).
What are the key properties of 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide?
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70724558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).