1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine

C15H19N5O3 — CID 135883205

IUPAC1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCOc1cc(NC(N)=Nc2nc(C)c(C)c(=O)[nH]2)cc(OC)c1
InChIInChI=1S/C15H19N5O3/c1-8-9(2)17-15(19-13(8)21)20-14(16)18-10-5-11(22-3)7-12(6-10)23-4/h5-7H,1-4H3,(H4,16,17,18,19,20,21)
InChIKeyHQMUTKOQOZYNHL-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.46
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine

1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135883205) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135883205
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCOc1cc(NC(N)=Nc2nc(C)c(C)c(=O)[nH]2)cc(OC)c1
InChIInChI=1S/C15H19N5O3/c1-8-9(2)17-15(19-13(8)21)20-14(16)18-10-5-11(22-3)7-12(6-10)23-4/h5-7H,1-4H3,(H4,16,17,18,19,20,21)
InChIKeyHQMUTKOQOZYNHL-UHFFFAOYSA-N
XLogP1.46
TPSA114.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3,5-dimethoxyphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
CID 135463217
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
CID 135643262
1-(3-chlorophenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135486398
ethyl 2-[2-[(E)-[amino-(3,5-dimethoxyanilino)methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135602302
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine;hydrochloride
CID 163329156
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
2-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]-1-(3-methylphenyl)guanidine
CID 135838337
ethyl 3-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135931789
2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
CID 135802191
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135883205) is 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine is COc1cc(NC(N)=Nc2nc(C)c(C)c(=O)[nH]2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is HQMUTKOQOZYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8-9(2)17-15(19-13(8)21)20-14(16)18-10-5-11(22-3)7-12(6-10)23-4/h5-7H,1-4H3,(H4,16,17,18,19,20,21).
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 317.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135883205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).