2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C15H11Cl2F3N2O — CID 137151576

IUPAC2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N2O/c16-10-4-1-7(6-11(10)17)5-9-12(15(18,19)20)21-13(8-2-3-8)22-14(9)23/h1,4,6,8H,2-3,5H2,(H,21,22,23)
InChIKeyWDQTUUCNPLTPPK-UHFFFAOYSA-N
MW363.17 g/mol
LogP4.56
Rot. Bonds3

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

2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137151576) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID137151576
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC Name2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N2O/c16-10-4-1-7(6-11(10)17)5-9-12(15(18,19)20)21-13(8-2-3-8)22-14(9)23/h1,4,6,8H,2-3,5H2,(H,21,22,23)
InChIKeyWDQTUUCNPLTPPK-UHFFFAOYSA-N
XLogP4.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 137151576) is 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(C(F)(F)F)c1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is WDQTUUCNPLTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c16-10-4-1-7(6-11(10)17)5-9-12(15(18,19)20)21-13(8-2-3-8)22-14(9)23/h1,4,6,8H,2-3,5H2,(H,21,22,23).
What are the key properties of 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 363.17 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137151576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).