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

C12H17F3N4 — CID 72882415

IUPAC(3R,4S)-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-/m0/s1
InChIKeyRRVKKVFAYJVRRN-IUCAKERBSA-N
MW274.29 g/mol
LogP2.06
Rot. Bonds3

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

(3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 72882415) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID72882415
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name(3R,4S)-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-/m0/s1
InChIKeyRRVKKVFAYJVRRN-IUCAKERBSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 72882415) is (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-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 (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is RRVKKVFAYJVRRN-IUCAKERBSA-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-/m0/s1.
What are the key properties of (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
(3R,4S)-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 (3R,4S)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 72882415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).