[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C17H23F3N6O — CID 133395709

IUPAC[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C17H23F3N6O/c1-24(2)13-10-12(17(18,19)20)22-16(23-13)26-7-4-11(5-8-26)14(27)15-21-6-9-25(15)3/h6,9-11,14,27H,4-5,7-8H2,1-3H3
InChIKeyYLRWPGDZOUAHQN-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.24
Rot. Bonds4

About [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395709) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395709
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C17H23F3N6O/c1-24(2)13-10-12(17(18,19)20)22-16(23-13)26-7-4-11(5-8-26)14(27)15-21-6-9-25(15)3/h6,9-11,14,27H,4-5,7-8H2,1-3H3
InChIKeyYLRWPGDZOUAHQN-UHFFFAOYSA-N
XLogP2.24
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395709) is [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is CN(C)c1cc(C(F)(F)F)nc(N2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is YLRWPGDZOUAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-24(2)13-10-12(17(18,19)20)22-16(23-13)26-7-4-11(5-8-26)14(27)15-21-6-9-25(15)3/h6,9-11,14,27H,4-5,7-8H2,1-3H3.
What are the key properties of [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 384.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).