(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

C12H19F3N4 — CID 141256070

IUPAC(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2=NCN(CCCC(F)(F)F)C=C2)C1
InChIInChI=1S/C12H19F3N4/c13-12(14,15)4-1-5-18-6-3-11(17-9-18)19-7-2-10(16)8-19/h3,6,10H,1-2,4-5,7-9,16H2/t10-/m1/s1
InChIKeySKTSQOHNNNEJPC-SNVBAGLBSA-N
MW276.31 g/mol
LogP1.55
Rot. Bonds3

About (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 141256070) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID141256070
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2=NCN(CCCC(F)(F)F)C=C2)C1
InChIInChI=1S/C12H19F3N4/c13-12(14,15)4-1-5-18-6-3-11(17-9-18)19-7-2-10(16)8-19/h3,6,10H,1-2,4-5,7-9,16H2/t10-/m1/s1
InChIKeySKTSQOHNNNEJPC-SNVBAGLBSA-N
XLogP1.55
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256060
(3R)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256089
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256103
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(cyclopropylmethylamino)ethenyl]carbonimidoyl]pyrrolidin-3-amine
CID 173483700
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(2,2-dimethylpropylamino)ethenyl]carbonimidoyl]-N-methylpyrrolidin-3-amine
CID 173483704
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381
1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine
CID 177247486

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (CID 141256070) is (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is N[C@@H]1CCN(C2=NCN(CCCC(F)(F)F)C=C2)C1.
What is the InChIKey of (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is SKTSQOHNNNEJPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19F3N4/c13-12(14,15)4-1-5-18-6-3-11(17-9-18)19-7-2-10(16)8-19/h3,6,10H,1-2,4-5,7-9,16H2/t10-/m1/s1.
What are the key properties of (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 141256070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).