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

C15H17N5O — CID 135604870

IUPAC2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCCCc2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C15H17N5O/c16-10-12-13(19-15(17)20-14(12)21)18-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H4,17,18,19,20,21)
InChIKeyIQFFBDOAJILKBR-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.66
Rot. Bonds6

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

2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile (PubChem CID 135604870) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
PubChem CID135604870
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCCCc2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C15H17N5O/c16-10-12-13(19-15(17)20-14(12)21)18-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H4,17,18,19,20,21)
InChIKeyIQFFBDOAJILKBR-UHFFFAOYSA-N
XLogP1.66
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
CID 135604867
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-amino-5-(3-anilinopropyl)-4-benzyl-1H-pyrimidin-6-one
CID 135469427
4-[5-[(2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidin-4-yl)amino]-4-oxopentyl]benzonitrile
CID 135692617
3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 137264065
2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
CID 70096176
3-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]prop-2-enoic acid
CID 135532975
4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518193
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135692618

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile (CID 135604870) is 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile is N#Cc1c(NCCCCc2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile?
The InChIKey is IQFFBDOAJILKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-10-12-13(19-15(17)20-14(12)21)18-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H4,17,18,19,20,21).
What are the key properties of 2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile?
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 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-carbonitrile is sourced from PubChem (CID 135604870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).