ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate

C12H17N3O2 — CID 62831496

IUPACethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
SMILESCCOC(=O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C12H17N3O2/c1-2-17-11(16)6-7-13-12-9-4-3-5-10(9)14-8-15-12/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyNTVAAABVAOLTFA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds5

About ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate

ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate (PubChem CID 62831496) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
PubChem CID62831496
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
SMILESCCOC(=O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C12H17N3O2/c1-2-17-11(16)6-7-13-12-9-4-3-5-10(9)14-8-15-12/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyNTVAAABVAOLTFA-UHFFFAOYSA-N
XLogP1.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The IUPAC name of ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate (CID 62831496) is ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The canonical SMILES for ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate is CCOC(=O)CCNc1ncnc2c1CCC2.
What is the InChIKey of ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The InChIKey is NTVAAABVAOLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-17-11(16)6-7-13-12-9-4-3-5-10(9)14-8-15-12/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate has a molecular weight of 235.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate is sourced from PubChem (CID 62831496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).