2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane

C10H13F3N2O — CID 145136644

IUPAC2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
SMILESCC.O=c1cc(C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2O.C2H6/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4;1-2/h3-4H,1-2H2,(H,12,13,14);1-2H3
InChIKeyMGRSMGIGQHAHFI-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.69
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane

2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane (PubChem CID 145136644) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
PubChem CID145136644
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
SMILESCC.O=c1cc(C(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H7F3N2O.C2H6/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4;1-2/h3-4H,1-2H2,(H,12,13,14);1-2H3
InChIKeyMGRSMGIGQHAHFI-UHFFFAOYSA-N
XLogP2.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 135416727
2-Cyclopropyl-6-(trifluoromethyl)pyrimidin-4-ol
CID 135438221
2-(2-aminopropan-2-yl)-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136103366
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
2-Cyclopropyl-6-methylpyrimidin-4-ol
CID 135844179
2-(2-aminopropan-2-yl)-4-(difluoromethyl)-1H-pyrimidin-6-one;hydrochloride
CID 136141157
2-Ethyl-6-(trifluoromethyl)pyrimidin-4-ol
CID 135678130
2-propyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135678189
2-Tert-butyl-4-hydroxy-6-difluoromethyl-pyrimidine
CID 135685695
2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135703842
2-Isopropyl-6-trifluoromethylpyrimidin-4-ol
CID 135753392

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane (CID 145136644) is 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane is CC.O=c1cc(C(F)(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane?
The InChIKey is MGRSMGIGQHAHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O.C2H6/c9-8(10,11)5-3-6(14)13-7(12-5)4-1-2-4;1-2/h3-4H,1-2H2,(H,12,13,14);1-2H3.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane?
2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane has a molecular weight of 234.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane is sourced from PubChem (CID 145136644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).