(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine

C12H17F3N4 — CID 133110613

IUPAC(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1N
InChIInChI=1S/C12H17F3N4/c1-2-3-8-6-19(7-9(8)16)11-17-5-4-10(18-11)12(13,14)15/h4-5,8-9H,2-3,6-7,16H2,1H3/t8-,9-/m1/s1
InChIKeyRRVKKVFAYJVRRN-RKDXNWHRSA-N
MW274.29 g/mol
LogP2.06
Rot. Bonds3

About (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine

(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 133110613) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID133110613
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1N
InChIInChI=1S/C12H17F3N4/c1-2-3-8-6-19(7-9(8)16)11-17-5-4-10(18-11)12(13,14)15/h4-5,8-9H,2-3,6-7,16H2,1H3/t8-,9-/m1/s1
InChIKeyRRVKKVFAYJVRRN-RKDXNWHRSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 72922661
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 154899337
(3S,4R)-4-(1-methylimidazol-4-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 167790914
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 133292848
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
5-[4-(trifluoromethyl)pyrimidin-2-yl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146077895
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine
CID 70721125
1-[(3aS,4R,7aS)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-N,N-dimethylmethanamine
CID 134689447

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 133110613) is (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine is CCC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1N.
What is the InChIKey of (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is RRVKKVFAYJVRRN-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-3-8-6-19(7-9(8)16)11-17-5-4-10(18-11)12(13,14)15/h4-5,8-9H,2-3,6-7,16H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 133110613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).