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

C16H25N5 — CID 72930314

IUPAC(3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine
SMILESN[C@H]1CN(Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25N5/c17-15-11-20(10-14(15)13-3-4-13)9-12-7-18-16(19-8-12)21-5-1-2-6-21/h7-8,13-15H,1-6,9-11,17H2/t14-,15+/m1/s1
InChIKeyGFZNGCZGWIFMIM-CABCVRRESA-N
MW287.41 g/mol
LogP1.25
Rot. Bonds4

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

(3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 72930314) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine
PubChem CID72930314
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine
SMILESN[C@H]1CN(Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25N5/c17-15-11-20(10-14(15)13-3-4-13)9-12-7-18-16(19-8-12)21-5-1-2-6-21/h7-8,13-15H,1-6,9-11,17H2/t14-,15+/m1/s1
InChIKeyGFZNGCZGWIFMIM-CABCVRRESA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.25
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-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine (CID 72930314) is (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine is N[C@H]1CN(Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GFZNGCZGWIFMIM-CABCVRRESA-N. The full InChI is InChI=1S/C16H25N5/c17-15-11-20(10-14(15)13-3-4-13)9-12-7-18-16(19-8-12)21-5-1-2-6-21/h7-8,13-15H,1-6,9-11,17H2/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 287.41 g/mol, XLogP of 1.25, 4 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-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 72930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).