[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol

C11H16F3N3O — CID 83184457

IUPAC[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)ncc1CO
InChIInChI=1S/C11H16F3N3O/c1-7(2)17(6-11(12,13)14)10-15-4-9(5-18)8(3)16-10/h4,7,18H,5-6H2,1-3H3
InChIKeyWMUVYAPWTQJUEA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.05
Rot. Bonds4

About [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol

[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol (PubChem CID 83184457) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
PubChem CID83184457
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)ncc1CO
InChIInChI=1S/C11H16F3N3O/c1-7(2)17(6-11(12,13)14)10-15-4-9(5-18)8(3)16-10/h4,7,18H,5-6H2,1-3H3
InChIKeyWMUVYAPWTQJUEA-UHFFFAOYSA-N
XLogP2.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol (CID 83184457) is [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol is Cc1nc(N(CC(F)(F)F)C(C)C)ncc1CO.
What is the InChIKey of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol?
The InChIKey is WMUVYAPWTQJUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)17(6-11(12,13)14)10-15-4-9(5-18)8(3)16-10/h4,7,18H,5-6H2,1-3H3.
What are the key properties of [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol?
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol has a molecular weight of 263.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).