(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine

C15H22FN5 — CID 72916486

IUPAC(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1C1CC1
InChIInChI=1S/C15H22FN5/c16-12-7-18-15(19-14(12)20-5-1-2-6-20)21-8-11(10-3-4-10)13(17)9-21/h7,10-11,13H,1-6,8-9,17H2/t11-,13+/m1/s1
InChIKeyCVDUYQQDAZEKFO-YPMHNXCESA-N
MW291.37 g/mol
LogP1.39
Rot. Bonds3

About (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 72916486) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID72916486
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1C1CC1
InChIInChI=1S/C15H22FN5/c16-12-7-18-15(19-14(12)20-5-1-2-6-20)21-8-11(10-3-4-10)13(17)9-21/h7,10-11,13H,1-6,8-9,17H2/t11-,13+/m1/s1
InChIKeyCVDUYQQDAZEKFO-YPMHNXCESA-N
XLogP1.39
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine (CID 72916486) is (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine is N[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is CVDUYQQDAZEKFO-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22FN5/c16-12-7-18-15(19-14(12)20-5-1-2-6-20)21-8-11(10-3-4-10)13(17)9-21/h7,10-11,13H,1-6,8-9,17H2/t11-,13+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 291.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).