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

C19H19F3N2O2 — CID 147378307

IUPAC4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H19F3N2O2/c1-11-23-14(8-16(26)24-11)15(25)9-18(10-17(18,2)3)12-4-6-13(7-5-12)19(20,21)22/h4-8H,9-10H2,1-3H3,(H,23,24,26)
InChIKeyDKLLUFZLRFGSNM-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.04
Rot. Bonds4

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

4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 147378307) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID147378307
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H19F3N2O2/c1-11-23-14(8-16(26)24-11)15(25)9-18(10-17(18,2)3)12-4-6-13(7-5-12)19(20,21)22/h4-8H,9-10H2,1-3H3,(H,23,24,26)
InChIKeyDKLLUFZLRFGSNM-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one (CID 147378307) is 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C(=O)CC2(c3ccc(C(F)(F)F)cc3)CC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DKLLUFZLRFGSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11-23-14(8-16(26)24-11)15(25)9-18(10-17(18,2)3)12-4-6-13(7-5-12)19(20,21)22/h4-8H,9-10H2,1-3H3,(H,23,24,26).
What are the key properties of 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one?
4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 364.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 147378307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).