6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine

C9H11F3N4 — CID 106770242

IUPAC6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)8-14-6(13)5-7(15-8)16-3-1-2-4-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyCOMPHZRVBKDIMW-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.68
Rot. Bonds1

About 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine

6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106770242) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106770242
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)8-14-6(13)5-7(15-8)16-3-1-2-4-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyCOMPHZRVBKDIMW-UHFFFAOYSA-N
XLogP1.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 122476904
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772695
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106770242) is 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(N2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is COMPHZRVBKDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)8-14-6(13)5-7(15-8)16-3-1-2-4-16/h5H,1-4H2,(H2,13,14,15).
What are the key properties of 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine?
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 232.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106770242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).