5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one

C10H10N4O3 — CID 122358570

IUPAC5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCOc1ncc(-c2cnc[nH]c2=O)c(OC)n1
InChIInChI=1S/C10H10N4O3/c1-16-9-7(4-12-10(14-9)17-2)6-3-11-5-13-8(6)15/h3-5H,1-2H3,(H,11,13,15)
InChIKeySCLKHSBPSQMZLB-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.24
Rot. Bonds3

About 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one

5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one (PubChem CID 122358570) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one
PubChem CID122358570
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCOc1ncc(-c2cnc[nH]c2=O)c(OC)n1
InChIInChI=1S/C10H10N4O3/c1-16-9-7(4-12-10(14-9)17-2)6-3-11-5-13-8(6)15/h3-5H,1-2H3,(H,11,13,15)
InChIKeySCLKHSBPSQMZLB-UHFFFAOYSA-N
XLogP0.24
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300
5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine
CID 142260902
2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
5-(2,4-dimethoxyphenyl)-2,4-dimethoxypyrimidine
CID 141069506
5-[(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalen-2-yl]-2,4-dimethoxypyrimidine
CID 59435391
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827
4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
CID 155915976
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
methyl 3-chloro-4-(2,4-dimethoxypyrimidin-5-yl)benzoate
CID 67256583
2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
CID 126473814
5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 106522710
2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
CID 71176850

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one (CID 122358570) is 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one is COc1ncc(-c2cnc[nH]c2=O)c(OC)n1.
What is the InChIKey of 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one?
The InChIKey is SCLKHSBPSQMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-16-9-7(4-12-10(14-9)17-2)6-3-11-5-13-8(6)15/h3-5H,1-2H3,(H,11,13,15).
What are the key properties of 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one?
5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one has a molecular weight of 234.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxypyrimidin-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122358570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).