6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile

C15H16N4O — CID 101421017

IUPAC6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCCCCn1c(N)c(C#N)c(-c2ccccc2)nc1=O
InChIInChI=1S/C15H16N4O/c1-2-3-9-19-14(17)12(10-16)13(18-15(19)20)11-7-5-4-6-8-11/h4-8H,2-3,9,17H2,1H3
InChIKeyLJKSOVJENFLHKO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds4

About 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile

6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile (PubChem CID 101421017) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
PubChem CID101421017
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCCCCn1c(N)c(C#N)c(-c2ccccc2)nc1=O
InChIInChI=1S/C15H16N4O/c1-2-3-9-19-14(17)12(10-16)13(18-15(19)20)11-7-5-4-6-8-11/h4-8H,2-3,9,17H2,1H3
InChIKeyLJKSOVJENFLHKO-UHFFFAOYSA-N
XLogP2.16
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 73292300
6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol
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2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile
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2-amino-5-ethyl-1-pentylpyrrole-3,4-dicarbonitrile
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3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
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2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 107936598
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
1-butyl-6-phenylpyrimidin-2-one
CID 102529038
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
1-[2-[2-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)ethyldisulfanyl]ethyl]-6-oxo-2,4-diphenylpyrimidine-5-carbonitrile
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6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile (CID 101421017) is 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile is CCCCn1c(N)c(C#N)c(-c2ccccc2)nc1=O.
What is the InChIKey of 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is LJKSOVJENFLHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-3-9-19-14(17)12(10-16)13(18-15(19)20)11-7-5-4-6-8-11/h4-8H,2-3,9,17H2,1H3.
What are the key properties of 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile?
6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 101421017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).