N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide

C15H22N4O2 — CID 71836310

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C15H22N4O2/c1-2-21-9-14(20)18-11-6-7-19(8-11)15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyPEVFNHHXLHJSLJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.70
Rot. Bonds5

About N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide

N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide (PubChem CID 71836310) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide
PubChem CID71836310
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C15H22N4O2/c1-2-21-9-14(20)18-11-6-7-19(8-11)15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyPEVFNHHXLHJSLJ-UHFFFAOYSA-N
XLogP0.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide (CID 71836310) is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide is CCOCC(=O)NC1CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide?
The InChIKey is PEVFNHHXLHJSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-21-9-14(20)18-11-6-7-19(8-11)15-12-4-3-5-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,18,20).
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide?
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 71836310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).