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

C18H17N5O — CID 135951714

IUPAC1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
SMILESCc1ccc(NC(N)=Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H17N5O/c1-12-7-9-14(10-8-12)20-17(19)23-18-21-15(11-16(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyTXDCORVAMVYTNY-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.80
Rot. Bonds3

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

1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine (PubChem CID 135951714) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
PubChem CID135951714
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
SMILESCc1ccc(NC(N)=Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H17N5O/c1-12-7-9-14(10-8-12)20-17(19)23-18-21-15(11-16(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyTXDCORVAMVYTNY-UHFFFAOYSA-N
XLogP2.80
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.80
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

2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
CID 135479085
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
CID 135838337
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-[(4-methylphenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-(2-phenylphenyl)guanidine
CID 135496458
2-[4-[(4-methylphenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-(4-propan-2-ylphenyl)guanidine
CID 135645379
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
CID 137314479
1-(4-methylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135883195
1-(4-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 136601444

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine (CID 135951714) is 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine is Cc1ccc(NC(N)=Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
The InChIKey is TXDCORVAMVYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-7-9-14(10-8-12)20-17(19)23-18-21-15(11-16(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H4,19,20,21,22,23,24).
What are the key properties of 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine?
1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine has a molecular weight of 319.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135951714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).