2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine

C15H19N5O — CID 137271554

IUPAC2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCC/N=C(\N)Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O/c1-2-3-9-17-14(16)20-15-18-12(10-13(21)19-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyGDOKWAUYECURIT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds5

About 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine

2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine (PubChem CID 137271554) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
PubChem CID137271554
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCC/N=C(\N)Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O/c1-2-3-9-17-14(16)20-15-18-12(10-13(21)19-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyGDOKWAUYECURIT-UHFFFAOYSA-N
XLogP1.96
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine (CID 137271554) is 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine is CCCC/N=C(\N)Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The InChIKey is GDOKWAUYECURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-9-17-14(16)20-15-18-12(10-13(21)19-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,16,17,18,19,20,21).
What are the key properties of 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine has a molecular weight of 285.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 137271554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).