(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide

C15H23N5O — CID 70740539

IUPAC(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H23N5O/c1-17-14(21)13-8-11(16)9-20(13)15-18-7-6-12(19-15)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9,16H2,1H3,(H,17,21)/t11-,13+/m1/s1
InChIKeyYYSXVLPWHBKYJU-YPMHNXCESA-N
MW289.38 g/mol
LogP0.79
Rot. Bonds3

About (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 70740539) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID70740539
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H23N5O/c1-17-14(21)13-8-11(16)9-20(13)15-18-7-6-12(19-15)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9,16H2,1H3,(H,17,21)/t11-,13+/m1/s1
InChIKeyYYSXVLPWHBKYJU-YPMHNXCESA-N
XLogP0.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 70740539) is (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1c1nccc(C2CCCC2)n1.
What is the InChIKey of (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YYSXVLPWHBKYJU-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23N5O/c1-17-14(21)13-8-11(16)9-20(13)15-18-7-6-12(19-15)10-4-2-3-5-10/h6-7,10-11,13H,2-5,8-9,16H2,1H3,(H,17,21)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(4-cyclopentylpyrimidin-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70740539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).