2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine

C18H17N5O2 — CID 135504526

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H17N5O2/c1-12-11-16(24)22-18(20-12)23-17(19)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyKJFCEDOEAVKEPY-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (PubChem CID 135504526) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
PubChem CID135504526
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H17N5O2/c1-12-11-16(24)22-18(20-12)23-17(19)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyKJFCEDOEAVKEPY-UHFFFAOYSA-N
XLogP2.93
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135883199
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 135951714
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135645386
2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
CID 135479085
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135481551
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
CID 135838337
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine
CID 137314479
1-(4-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 136601444

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (CID 135504526) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The InChIKey is KJFCEDOEAVKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-11-16(24)22-18(20-12)23-17(19)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-11H,1H3,(H4,19,20,21,22,23,24).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine has a molecular weight of 335.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 135504526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).