(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine

C9H11F3N4 — CID 56965616

IUPAC(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-3-8(15-5-14-7)16-2-1-6(13)4-16/h3,5-6H,1-2,4,13H2/t6-/m1/s1
InChIKeyIASFYHSTCPJRQG-ZCFIWIBFSA-N
MW232.21 g/mol
LogP1.03
Rot. Bonds1

About (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 56965616) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID56965616
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-3-8(15-5-14-7)16-2-1-6(13)4-16/h3,5-6H,1-2,4,13H2/t6-/m1/s1
InChIKeyIASFYHSTCPJRQG-ZCFIWIBFSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
6-(Trifluoromethyl)pyrimidin-4-amine
CID 22385756
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
1-(6-Methylpyrimidin-4-yl)piperidin-3-amine
CID 54592599

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 56965616) is (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is IASFYHSTCPJRQG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-3-8(15-5-14-7)16-2-1-6(13)4-16/h3,5-6H,1-2,4,13H2/t6-/m1/s1.
What are the key properties of (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine?
(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 232.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 56965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).