1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

C17H19N5O3 — CID 742639

IUPAC1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCOc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-10-7-11(2)20-16(19-10)21-17-18-9-15(23)22(17)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3,(H,18,19,20,21)
InChIKeyIFEFMZUDRKPQSP-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.93
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one

1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (PubChem CID 742639) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
PubChem CID742639
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
SMILESCOc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC
InChIInChI=1S/C17H19N5O3/c1-10-7-11(2)20-16(19-10)21-17-18-9-15(23)22(17)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3,(H,18,19,20,21)
InChIKeyIFEFMZUDRKPQSP-UHFFFAOYSA-N
XLogP1.93
TPSA88.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 1119736
dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate
CID 1267183
1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668609
1-(3,4-dimethoxyphenyl)-6-methyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
CID 54291907
4-[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914586
(3R)-1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2126438
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941661
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one (CID 742639) is 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
The InChIKey is IFEFMZUDRKPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-7-11(2)20-16(19-10)21-17-18-9-15(23)22(17)12-5-6-13(24-3)14(8-12)25-4/h5-8H,9H2,1-4H3,(H,18,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one?
1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one has a molecular weight of 341.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 742639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).