5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid

C19H19F3N2O3 — CID 136509278

IUPAC5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(CC2(c3ccc(C(F)(F)F)cc3)CCCC2)[nH]c1=O
InChIInChI=1S/C19H19F3N2O3/c1-11-15(17(26)27)23-14(24-16(11)25)10-18(8-2-3-9-18)12-4-6-13(7-5-12)19(20,21)22/h4-7H,2-3,8-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyPMQKZIVLCMDCKS-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.85
Rot. Bonds4

About 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid

5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 136509278) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid
PubChem CID136509278
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(CC2(c3ccc(C(F)(F)F)cc3)CCCC2)[nH]c1=O
InChIInChI=1S/C19H19F3N2O3/c1-11-15(17(26)27)23-14(24-16(11)25)10-18(8-2-3-9-18)12-4-6-13(7-5-12)19(20,21)22/h4-7H,2-3,8-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyPMQKZIVLCMDCKS-UHFFFAOYSA-N
XLogP3.85
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid (CID 136509278) is 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid is Cc1c(C(=O)O)nc(CC2(c3ccc(C(F)(F)F)cc3)CCCC2)[nH]c1=O.
What is the InChIKey of 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is PMQKZIVLCMDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-11-15(17(26)27)23-14(24-16(11)25)10-18(8-2-3-9-18)12-4-6-13(7-5-12)19(20,21)22/h4-7H,2-3,8-10H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid?
5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 380.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 136509278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).