5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H11BrF3N3O — CID 137015677

IUPAC5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C10H11BrF3N3O/c11-7-8(15-5-16-9(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18)
InChIKeyACZRXSOWRWZKKF-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137015677) has the molecular formula C10H11BrF3N3O and a molecular weight of 326.12 g/mol. Its IUPAC name is 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137015677
Molecular FormulaC10H11BrF3N3O
Molecular Weight326.12 g/mol
Exact Mass325.00
IUPAC Name5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C10H11BrF3N3O/c11-7-8(15-5-16-9(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18)
InChIKeyACZRXSOWRWZKKF-UHFFFAOYSA-N
XLogP2.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-1-yl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 173528079
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957962
5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
5-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
5-bromo-4-(3-bromo-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749174
4-(3-bromo-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749175
5-bromo-4-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772459
4-[4-(1-bromoethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137015677) is 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(C(F)(F)F)CC2)c1Br.
What is the InChIKey of 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ACZRXSOWRWZKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O/c11-7-8(15-5-16-9(7)18)17-3-1-6(2-4-17)10(12,13)14/h5-6H,1-4H2,(H,15,16,18).
What are the key properties of 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 326.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).