2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine

C19H19N5O2 — CID 135838337

IUPAC2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
SMILESCOc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-12-4-3-5-14(10-12)21-18(20)24-19-22-16(11-17(25)23-19)13-6-8-15(26-2)9-7-13/h3-11H,1-2H3,(H4,20,21,22,23,24,25)
InChIKeyIOKAPSKFBVYOMM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine

2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine (PubChem CID 135838337) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
PubChem CID135838337
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
SMILESCOc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-12-4-3-5-14(10-12)21-18(20)24-19-22-16(11-17(25)23-19)13-6-8-15(26-2)9-7-13/h3-11H,1-2H3,(H4,20,21,22,23,24,25)
InChIKeyIOKAPSKFBVYOMM-UHFFFAOYSA-N
XLogP2.81
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.81
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

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
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
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
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
N-(3-bromophenyl)-2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 136685642
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135883199
ethyl 2-[2-[(E)-[amino-(3,5-dimethoxyanilino)methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135602302
1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135883205
ethyl 3-[[N'-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]carbamimidoyl]amino]benzoate
CID 135402259
N-(3-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine (CID 135838337) is 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine is COc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine?
The InChIKey is IOKAPSKFBVYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-4-3-5-14(10-12)21-18(20)24-19-22-16(11-17(25)23-19)13-6-8-15(26-2)9-7-13/h3-11H,1-2H3,(H4,20,21,22,23,24,25).
What are the key properties of 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine?
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine has a molecular weight of 349.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 135838337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).