6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4 — CID 106772949

IUPAC6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(N)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4/c1-2-3-8-4-5-19(7-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyACTBHGLDNVXFSU-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.70
Rot. Bonds3

About 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106772949) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106772949
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(N)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4/c1-2-3-8-4-5-19(7-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyACTBHGLDNVXFSU-UHFFFAOYSA-N
XLogP2.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
2-(methoxymethyl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419522
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806

Frequently Asked Questions

What is the IUPAC name of 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106772949) is 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCC1CCN(c2cc(N)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ACTBHGLDNVXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-3-8-4-5-19(7-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106772949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).