3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H13Cl2F3N2O2 — CID 134117130

IUPAC3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(C(F)(F)F)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H13Cl2F3N2O2/c1-2-5-21-12(15(18,19)20)7-13(23)22(14(21)24)8-9-3-4-10(16)11(17)6-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyJIDJYGBVVXEUHV-UHFFFAOYSA-N
MW381.18 g/mol
LogP3.79
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 134117130) has the molecular formula C15H13Cl2F3N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID134117130
Molecular FormulaC15H13Cl2F3N2O2
Molecular Weight381.18 g/mol
Exact Mass380.03
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCCn1c(C(F)(F)F)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H13Cl2F3N2O2/c1-2-5-21-12(15(18,19)20)7-13(23)22(14(21)24)8-9-3-4-10(16)11(17)6-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyJIDJYGBVVXEUHV-UHFFFAOYSA-N
XLogP3.79
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 134117130) is 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CCCn1c(C(F)(F)F)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is JIDJYGBVVXEUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O2/c1-2-5-21-12(15(18,19)20)7-13(23)22(14(21)24)8-9-3-4-10(16)11(17)6-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 381.18 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-1-propyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134117130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).