5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one

C11H10ClN3O — CID 136970384

IUPAC5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)15-10-9(12)11(16)14-6-13-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyPLOAFOYEGMAAPN-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one

5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one (PubChem CID 136970384) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
PubChem CID136970384
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)15-10-9(12)11(16)14-6-13-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyPLOAFOYEGMAAPN-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(3-methylanilino)-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-(3-iodoanilino)-1H-pyrimidin-6-one
CID 136970545
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
4-(3-bromo-5-methylanilino)-5-chloro-1H-pyrimidin-6-one
CID 136890189
4-[3-(aminomethyl)anilino]-5-chloro-1H-pyrimidin-6-one
CID 136989796
5-chloro-4-[3-(3-chloropropyl)anilino]-1H-pyrimidin-6-one
CID 136972081
5-chloro-4-(4-methoxy-3-methylanilino)-1H-pyrimidin-6-one
CID 136971055
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
5-chloro-4-(4-methyl-3-nitroanilino)-1H-pyrimidin-6-one
CID 136970951
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 136908803
5-chloro-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971394
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one (CID 136970384) is 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one is Cc1cccc(Nc2nc[nH]c(=O)c2Cl)c1.
What is the InChIKey of 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is PLOAFOYEGMAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)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-(3-methylanilino)-1H-pyrimidin-6-one?
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 235.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).