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

C13H19F3N4 — CID 106772947

IUPACN-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4/c1-3-4-9-5-6-20(8-9)11-7-10(17-2)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyROHIEGGFEKGKNW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.16
Rot. Bonds4

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

N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106772947) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106772947
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4/c1-3-4-9-5-6-20(8-9)11-7-10(17-2)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyROHIEGGFEKGKNW-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772934
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 106769882
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771328

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106772947) is N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCCC1CCN(c2cc(NC)nc(C(F)(F)F)n2)C1.
What is the InChIKey of N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ROHIEGGFEKGKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-4-9-5-6-20(8-9)11-7-10(17-2)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106772947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).