5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one

C11H10ClN3O2 — CID 136970500

IUPAC5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyWIMJBMJPQCAEOM-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one

5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 136970500) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID136970500
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyWIMJBMJPQCAEOM-UHFFFAOYSA-N
XLogP2.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-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

5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-chloro-4-(4-methoxy-3-methylanilino)-1H-pyrimidin-6-one
CID 136971055
5-chloro-4-[2-(difluoromethylsulfanyl)anilino]-1H-pyrimidin-6-one
CID 136970449
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 88756925
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
CID 136734169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one (CID 136970500) is 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one is COc1ccccc1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is WIMJBMJPQCAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 251.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).