2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol

C10H12F3N3O — CID 174360828

IUPAC2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCc1cc(N2CC(O)C2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-5-3-8(16-4-7(17)6(16)2)15-9(14-5)10(11,12)13/h3,6-7,17H,4H2,1-2H3
InChIKeyKVMFVYJPIRQPBV-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.37
Rot. Bonds1

About 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol

2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 174360828) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
PubChem CID174360828
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCc1cc(N2CC(O)C2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-5-3-8(16-4-7(17)6(16)2)15-9(14-5)10(11,12)13/h3,6-7,17H,4H2,1-2H3
InChIKeyKVMFVYJPIRQPBV-UHFFFAOYSA-N
XLogP1.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethylpyrimidin-4-yl)piperidin-3-ol
CID 6488733
[4-Methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
CID 121561616
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
2-[(6-Methyl-2-propyl-4-pyrimidinyl)amino]ethanol
CID 6459535
trans-3-[(2,6-Dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
CID 75506056
1-(4-(Trifluoromethyl)pyrimidin-2-yl)azetidin-3-ol
CID 53563289
2-[Cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol
CID 75512708
1-[2-(Methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
CID 136534887
2,2'-(6-Methyl-2-propylpyrimidin-4-yl)iminodiethanol
CID 89614
N,N-dimethyl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-amine
CID 59637135
6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 90245654
1-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 114562576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol (CID 174360828) is 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol is Cc1cc(N2CC(O)C2C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is KVMFVYJPIRQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-5-3-8(16-4-7(17)6(16)2)15-9(14-5)10(11,12)13/h3,6-7,17H,4H2,1-2H3.
What are the key properties of 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 174360828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).