2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one

C20H20N6O2 — CID 135692618

IUPAC2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(NCC(=O)CCc2ccccc2)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H20N6O2/c21-20-23-18(22-13-16(27)12-11-14-7-3-1-4-8-14)17(19(28)24-20)26-25-15-9-5-2-6-10-15/h1-10H,11-13H2,(H4,21,22,23,24,28)/b26-25+
InChIKeyZKDSDCJKKKRJMU-OCEACIFDSA-N
MW376.42 g/mol
LogP3.38
Rot. Bonds8

About 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one

2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135692618) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135692618
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(NCC(=O)CCc2ccccc2)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H20N6O2/c21-20-23-18(22-13-16(27)12-11-14-7-3-1-4-8-14)17(19(28)24-20)26-25-15-9-5-2-6-10-15/h1-10H,11-13H2,(H4,21,22,23,24,28)/b26-25+
InChIKeyZKDSDCJKKKRJMU-OCEACIFDSA-N
XLogP3.38
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl)amino]-4-oxopentyl]benzonitrile
CID 135692617
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
CID 135604867
2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
CID 135604870
4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 2068575
3-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]prop-2-enoic acid
CID 135532975
2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987606
methanamine;1-phenylpentan-3-one
CID 167492251
ethyl 2-[[6-chloro-5-phenyldiazenyl-2-(sulfanylmethyl)pyrimidin-4-yl]amino]acetate
CID 130466488
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
4-amino-2-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
CID 137267829
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135692618) is 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one is Nc1nc(NCC(=O)CCc2ccccc2)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is ZKDSDCJKKKRJMU-OCEACIFDSA-N. The full InChI is InChI=1S/C20H20N6O2/c21-20-23-18(22-13-16(27)12-11-14-7-3-1-4-8-14)17(19(28)24-20)26-25-15-9-5-2-6-10-15/h1-10H,11-13H2,(H4,21,22,23,24,28)/b26-25+.
What are the key properties of 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 376.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135692618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).