4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one

C13H10Cl2N2O — CID 135975410

IUPAC4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C13H10Cl2N2O/c14-9-3-8(4-10(15)5-9)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18)
InChIKeyWYHAURADJAABRO-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.62
Rot. Bonds2

About 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 135975410) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID135975410
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C13H10Cl2N2O/c14-9-3-8(4-10(15)5-9)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18)
InChIKeyWYHAURADJAABRO-UHFFFAOYSA-N
XLogP3.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975405
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136888750
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one (CID 135975410) is 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(-c2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is WYHAURADJAABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-9-3-8(4-10(15)5-9)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 281.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).