2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one

C19H19F3N2O2 — CID 147436832

IUPAC2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C19H19F3N2O2/c1-12-23-15(10-17(26)24-12)16(25)11-18(8-2-3-9-18)13-4-6-14(7-5-13)19(20,21)22/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,24,26)
InChIKeyDVLCRMPAXHVQGY-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.18
Rot. Bonds4

About 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one

2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one (PubChem CID 147436832) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one
PubChem CID147436832
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C19H19F3N2O2/c1-12-23-15(10-17(26)24-12)16(25)11-18(8-2-3-9-18)13-4-6-14(7-5-13)19(20,21)22/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,24,26)
InChIKeyDVLCRMPAXHVQGY-UHFFFAOYSA-N
XLogP4.18
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one (CID 147436832) is 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one is Cc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one?
The InChIKey is DVLCRMPAXHVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-23-15(10-17(26)24-12)16(25)11-18(8-2-3-9-18)13-4-6-14(7-5-13)19(20,21)22/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,24,26).
What are the key properties of 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one?
2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one has a molecular weight of 364.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 147436832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).