2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H16F3N3O — CID 136741412

IUPAC2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NCC2CCCCC2)[nH]1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-6-10(19)18-11(17-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,16,17,18,19)
InChIKeyHZIDCZFTEDKRSV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.78
Rot. Bonds3

About 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741412) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741412
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NCC2CCCCC2)[nH]1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-6-10(19)18-11(17-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,16,17,18,19)
InChIKeyHZIDCZFTEDKRSV-UHFFFAOYSA-N
XLogP2.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741412) is 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(NCC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is HZIDCZFTEDKRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-6-10(19)18-11(17-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,16,17,18,19).
What are the key properties of 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).