4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one

C10H6Cl2N2O — CID 136691812

IUPAC4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2Cl)nc[nH]1
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-2-6(10(7)12)8-4-9(15)14-5-13-8/h1-5H,(H,13,14,15)
InChIKeyGHJOWLJURBWWON-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.74
Rot. Bonds1

About 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one

4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136691812) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID136691812
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2Cl)nc[nH]1
InChIInChI=1S/C10H6Cl2N2O/c11-7-3-1-2-6(10(7)12)8-4-9(15)14-5-13-8/h1-5H,(H,13,14,15)
InChIKeyGHJOWLJURBWWON-UHFFFAOYSA-N
XLogP2.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136969559
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
CID 159568727
4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one
CID 137245690
5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
CID 103695282
4-(4-chloro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769438
4-[3-(cyclopropylmethylamino)-5-(2,3-dichlorophenyl)-1,2,4-triazol-1-yl]-1H-pyrimidin-6-one
CID 136506506
2-(2,3-dichlorophenyl)-N-methylpyridin-4-amine
CID 102824600
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 53218031
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 133092457
4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one
CID 136969577

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one (CID 136691812) is 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2cccc(Cl)c2Cl)nc[nH]1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is GHJOWLJURBWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-3-1-2-6(10(7)12)8-4-9(15)14-5-13-8/h1-5H,(H,13,14,15).
What are the key properties of 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 241.08 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136691812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).