2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide

C15H19N5O2 — CID 135604867

IUPAC2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c(NCCCCc2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c16-12(21)11-13(19-15(17)20-14(11)22)18-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,16,21)(H4,17,18,19,20,22)
InChIKeyJBIOFYGRBYNUOT-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.89
Rot. Bonds7

About 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide

2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide (PubChem CID 135604867) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
PubChem CID135604867
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c(NCCCCc2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C15H19N5O2/c16-12(21)11-13(19-15(17)20-14(11)22)18-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,16,21)(H4,17,18,19,20,22)
InChIKeyJBIOFYGRBYNUOT-UHFFFAOYSA-N
XLogP0.89
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide 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-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
CID 135604870
2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 135854192
3-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]prop-2-enoic acid
CID 135532975
4-benzylsulfanyl-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 15979338
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
2-amino-5-(3-anilinopropyl)-4-benzyl-1H-pyrimidin-6-one
CID 135469427
2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135692618
bis(N-[4-[4-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]butyl]phenyl]-2-bromoacetamide);sulfuric acid
CID 137190020
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
N-[4-[2-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]ethyl]phenyl]-2-bromoacetamide;sulfuric acid
CID 135509581
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide (CID 135604867) is 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide is NC(=O)c1c(NCCCCc2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide?
The InChIKey is JBIOFYGRBYNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-12(21)11-13(19-15(17)20-14(11)22)18-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,16,21)(H4,17,18,19,20,22).
What are the key properties of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide?
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 135604867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).