2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

C9H12F3N3O — CID 60732424

IUPAC2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-8(2,5-16)15-7-13-4-3-6(14-7)9(10,11)12/h3-4,16H,5H2,1-2H3,(H,13,14,15)
InChIKeySRKMGCIBEWLEDR-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 60732424) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID60732424
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-8(2,5-16)15-7-13-4-3-6(14-7)9(10,11)12/h3-4,16H,5H2,1-2H3,(H,13,14,15)
InChIKeySRKMGCIBEWLEDR-UHFFFAOYSA-N
XLogP1.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
2-Methoxy-4-(trifluoromethyl)pyrimidine
CID 15074801
2-[4-(Trifluoromethyl)pyrimidin-2-yl]propan-2-amine hydrochloride
CID 137971742
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796047
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
2-(4-Methylpyrimidin-2-yl)ethan-1-ol
CID 53484537
1-(4-(Trifluoromethyl)pyrimidin-2-yl)azetidin-3-ol
CID 53563289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (CID 60732424) is 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is CC(C)(CO)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is SRKMGCIBEWLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-8(2,5-16)15-7-13-4-3-6(14-7)9(10,11)12/h3-4,16H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 235.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 60732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).