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

C14H12Cl2N2O — CID 136692866

IUPAC2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H12Cl2N2O/c1-7-12(10-5-4-9(15)6-11(10)16)17-13(8-2-3-8)18-14(7)19/h4-6,8H,2-3H2,1H3,(H,17,18,19)
InChIKeyYQRQFWPKLFLPJS-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.93
Rot. Bonds2

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

2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692866) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692866
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H12Cl2N2O/c1-7-12(10-5-4-9(15)6-11(10)16)17-13(8-2-3-8)18-14(7)19/h4-6,8H,2-3H2,1H3,(H,17,18,19)
InChIKeyYQRQFWPKLFLPJS-UHFFFAOYSA-N
XLogP3.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
5-[2-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137196585
4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 91176392
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 136692866) is 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccc(Cl)cc2Cl)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YQRQFWPKLFLPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-7-12(10-5-4-9(15)6-11(10)16)17-13(8-2-3-8)18-14(7)19/h4-6,8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 295.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).