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

C13H20F3N3O — CID 62087791

IUPAC[2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol
SMILESCCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C13H20F3N3O/c1-4-5-19(8-13(14,15)16)11-6-17-12(9(2)3)18-10(11)7-20/h6,9,20H,4-5,7-8H2,1-3H3
InChIKeyWXMMYOGCUHUOBD-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.87
Rot. Bonds6

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

[2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol (PubChem CID 62087791) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol
PubChem CID62087791
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name[2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol
SMILESCCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C13H20F3N3O/c1-4-5-19(8-13(14,15)16)11-6-17-12(9(2)3)18-10(11)7-20/h6,9,20H,4-5,7-8H2,1-3H3
InChIKeyWXMMYOGCUHUOBD-UHFFFAOYSA-N
XLogP2.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol (CID 62087791) is [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol is CCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO.
What is the InChIKey of [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol?
The InChIKey is WXMMYOGCUHUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-4-5-19(8-13(14,15)16)11-6-17-12(9(2)3)18-10(11)7-20/h6,9,20H,4-5,7-8H2,1-3H3.
What are the key properties of [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol has a molecular weight of 291.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 62087791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).