2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide

C19H30N6O — CID 72904252

IUPAC2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide
SMILESCCc1cc(N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H30N6O/c1-2-14-9-18(23-19(21-14)25-7-3-4-8-25)22-16-11-24(12-17(20)26)10-15(16)13-5-6-13/h9,13,15-16H,2-8,10-12H2,1H3,(H2,20,26)(H,21,22,23)/t15-,16+/m1/s1
InChIKeyJGNSMRRAGLWZOM-CVEARBPZSA-N
MW358.49 g/mol
LogP1.25
Rot. Bonds7

About 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide

2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide (PubChem CID 72904252) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide
PubChem CID72904252
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide
SMILESCCc1cc(N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H30N6O/c1-2-14-9-18(23-19(21-14)25-7-3-4-8-25)22-16-11-24(12-17(20)26)10-15(16)13-5-6-13/h9,13,15-16H,2-8,10-12H2,1H3,(H2,20,26)(H,21,22,23)/t15-,16+/m1/s1
InChIKeyJGNSMRRAGLWZOM-CVEARBPZSA-N
XLogP1.25
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide (CID 72904252) is 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide is CCc1cc(N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide?
The InChIKey is JGNSMRRAGLWZOM-CVEARBPZSA-N. The full InChI is InChI=1S/C19H30N6O/c1-2-14-9-18(23-19(21-14)25-7-3-4-8-25)22-16-11-24(12-17(20)26)10-15(16)13-5-6-13/h9,13,15-16H,2-8,10-12H2,1H3,(H2,20,26)(H,21,22,23)/t15-,16+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide?
2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72904252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).