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

C17H15N5O — CID 135479085

IUPAC2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C17H15N5O/c18-16(19-13-9-5-2-6-10-13)22-17-20-14(11-15(23)21-17)12-7-3-1-4-8-12/h1-11H,(H4,18,19,20,21,22,23)
InChIKeyQTRZDRHAVHIINW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.50
Rot. Bonds3

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

2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine (PubChem CID 135479085) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
PubChem CID135479085
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C17H15N5O/c18-16(19-13-9-5-2-6-10-13)22-17-20-14(11-15(23)21-17)12-7-3-1-4-8-12/h1-11H,(H4,18,19,20,21,22,23)
InChIKeyQTRZDRHAVHIINW-UHFFFAOYSA-N
XLogP2.50
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 135951714
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
CID 135838337
2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
CID 135994268
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135883199
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
CID 137314479
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
1-(4-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 136601444
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 137271554
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine (CID 135479085) is 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine is NC(=Nc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
The InChIKey is QTRZDRHAVHIINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-16(19-13-9-5-2-6-10-13)22-17-20-14(11-15(23)21-17)12-7-3-1-4-8-12/h1-11H,(H4,18,19,20,21,22,23).
What are the key properties of 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine?
2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine has a molecular weight of 305.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135479085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).