2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one

C12H13N3O2 — CID 19754215

IUPAC2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
SMILESCOc1ccc(-n2c(C)cc(=O)nc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(16)14-12(13)15(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,16)
InChIKeySSLKWZCNXOPMCI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one

2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one (PubChem CID 19754215) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
PubChem CID19754215
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
SMILESCOc1ccc(-n2c(C)cc(=O)nc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(16)14-12(13)15(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,16)
InChIKeySSLKWZCNXOPMCI-UHFFFAOYSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
7-(4-methoxyphenyl)-6-methyl-2H-2,7-naphthyridine-1,8-dione
CID 164899626
1-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methylpyridin-2-one
CID 13416517
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4-amino-1-(4-methoxyphenyl)pyridin-2-one
CID 10130616
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
3-(4-methoxyphenyl)-2-methyl-5-sulfanylpyrimidin-4-one
CID 58589483
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one (CID 19754215) is 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one is COc1ccc(-n2c(C)cc(=O)nc2N)cc1.
What is the InChIKey of 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one?
The InChIKey is SSLKWZCNXOPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-11(16)14-12(13)15(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,16).
What are the key properties of 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one?
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one has a molecular weight of 231.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 19754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).