6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one

C12H11N3O3 — CID 82085699

IUPAC6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(C(=O)c2cnc(=O)[nH]c2N)c1
InChIInChI=1S/C12H11N3O3/c1-18-8-4-2-3-7(5-8)10(16)9-6-14-12(17)15-11(9)13/h2-6H,1H3,(H3,13,14,15,17)
InChIKeyXINFJTBGQQBZAQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.59
Rot. Bonds3

About 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one

6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one (PubChem CID 82085699) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
PubChem CID82085699
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(C(=O)c2cnc(=O)[nH]c2N)c1
InChIInChI=1S/C12H11N3O3/c1-18-8-4-2-3-7(5-8)10(16)9-6-14-12(17)15-11(9)13/h2-6H,1H3,(H3,13,14,15,17)
InChIKeyXINFJTBGQQBZAQ-UHFFFAOYSA-N
XLogP0.59
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82384684
6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
CID 57390973
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
6-amino-5-(3-oxo-3-phenylprop-1-en-2-yl)-1H-pyrimidin-2-one
CID 174482476
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one (CID 82085699) is 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one is COc1cccc(C(=O)c2cnc(=O)[nH]c2N)c1.
What is the InChIKey of 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one?
The InChIKey is XINFJTBGQQBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-8-4-2-3-7(5-8)10(16)9-6-14-12(17)15-11(9)13/h2-6H,1H3,(H3,13,14,15,17).
What are the key properties of 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one?
6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one has a molecular weight of 245.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-methoxybenzoyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82085699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).