4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one

C13H15N3O3 — CID 86578899

IUPAC4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one
SMILESCOc1ccc(-c2cc(N)nc(=O)n2C)cc1OC
InChIInChI=1S/C13H15N3O3/c1-16-9(7-12(14)15-13(16)17)8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H2,14,15,17)
InChIKeyHHDPTIDTNYLKDJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.05
Rot. Bonds3

About 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one

4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one (PubChem CID 86578899) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one
PubChem CID86578899
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one
SMILESCOc1ccc(-c2cc(N)nc(=O)n2C)cc1OC
InChIInChI=1S/C13H15N3O3/c1-16-9(7-12(14)15-13(16)17)8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H2,14,15,17)
InChIKeyHHDPTIDTNYLKDJ-UHFFFAOYSA-N
XLogP1.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one?
The IUPAC name of 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one (CID 86578899) is 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one is COc1ccc(-c2cc(N)nc(=O)n2C)cc1OC.
What is the InChIKey of 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one?
The InChIKey is HHDPTIDTNYLKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-9(7-12(14)15-13(16)17)8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H2,14,15,17).
What are the key properties of 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one?
4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3,4-dimethoxyphenyl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 86578899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).