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

C10H12F3N3O — CID 119103479

IUPAC1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3
InChIKeyMUDUTQOAOGJJMK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.37
Rot. Bonds1

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

1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 119103479) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID119103479
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3
InChIKeyMUDUTQOAOGJJMK-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
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
1-[6-Methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271365
trans-3-[(2,6-Dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
CID 75506056
(3S*,4S*)-1-(2-amino-6-methylpyrimidin-4-yl)-4-isopropoxypyrrolidin-3-ol
CID 72844887
4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 164629913
(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 164640409
2,2'-(6-Methyl-2-propylpyrimidin-4-yl)iminodiethanol
CID 89614
2-t-Butyl-4-[4-(3-hydroxypropyl)piperazin-1-yl]-6-trifluoromethyl pyrimidine
CID 18408602
3-Hydroxy-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-one
CID 53923628
N,N-dimethyl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-amine
CID 59637135
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 64586057

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 119103479) is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MUDUTQOAOGJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3.
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-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 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 119103479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).