2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one

C20H21F3N2O2 — CID 147753229

IUPAC2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-11(2)15(12-5-7-14(8-6-12)20(21,22)23)9-17(26)16-10-18(27)25-19(24-16)13-3-4-13/h5-8,10-11,13,15H,3-4,9H2,1-2H3,(H,24,25,27)/t15-/m1/s1
InChIKeyHCPNUJSBBMYELC-OAHLLOKOSA-N
MW378.39 g/mol
LogP4.68
Rot. Bonds6

About 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one (PubChem CID 147753229) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one
PubChem CID147753229
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-11(2)15(12-5-7-14(8-6-12)20(21,22)23)9-17(26)16-10-18(27)25-19(24-16)13-3-4-13/h5-8,10-11,13,15H,3-4,9H2,1-2H3,(H,24,25,27)/t15-/m1/s1
InChIKeyHCPNUJSBBMYELC-OAHLLOKOSA-N
XLogP4.68
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one (CID 147753229) is 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one is CC(C)[C@@H](CC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one?
The InChIKey is HCPNUJSBBMYELC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-11(2)15(12-5-7-14(8-6-12)20(21,22)23)9-17(26)16-10-18(27)25-19(24-16)13-3-4-13/h5-8,10-11,13,15H,3-4,9H2,1-2H3,(H,24,25,27)/t15-/m1/s1.
What are the key properties of 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one has a molecular weight of 378.39 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3R)-4-methyl-3-[4-(trifluoromethyl)phenyl]pentanoyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 147753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).