4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine

C10H12F3N3O — CID 126855030

IUPAC4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOC1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3
InChIKeyDPHVAUIORHOIRY-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.72
Rot. Bonds2

About 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 126855030) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID126855030
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCOC1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3
InChIKeyDPHVAUIORHOIRY-UHFFFAOYSA-N
XLogP1.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 166602956
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
4-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 115416496
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 139360469
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 103541738
(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
CID 103530467
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
CID 141162301

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 126855030) is 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine is COC1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is DPHVAUIORHOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 247.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126855030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).