2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H16F3N3O — CID 137009796

IUPAC2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-19(6-4-9)10-7-11(20)18-12(17-10)8-1-2-8/h7-9H,1-6H2,(H,17,18,20)
InChIKeyBTWNBXNRFWUOPW-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.43
Rot. Bonds2

About 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009796) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009796
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-19(6-4-9)10-7-11(20)18-12(17-10)8-1-2-8/h7-9H,1-6H2,(H,17,18,20)
InChIKeyBTWNBXNRFWUOPW-UHFFFAOYSA-N
XLogP2.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103186
2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136313371
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136932125
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604
2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976578
2-cyclopropyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976589
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137009796) is 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(C(F)(F)F)CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BTWNBXNRFWUOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)9-3-5-19(6-4-9)10-7-11(20)18-12(17-10)8-1-2-8/h7-9H,1-6H2,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 287.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).