ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate

C25H37N5O3 — CID 157032049

IUPACethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
SMILESCC.CCOC(=O)CN(C)c1nc(-c2cc(OCCN3CCCC3)ccn2)nc2c1CCC2
InChIInChI=1S/C23H31N5O3.C2H6/c1-3-30-21(29)16-27(2)23-18-7-6-8-19(18)25-22(26-23)20-15-17(9-10-24-20)31-14-13-28-11-4-5-12-28;1-2/h9-10,15H,3-8,11-14,16H2,1-2H3;1-2H3
InChIKeyHIYIBVSDQWGCEG-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.53
Rot. Bonds9

About ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate

ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate (PubChem CID 157032049) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
PubChem CID157032049
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Nameethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
SMILESCC.CCOC(=O)CN(C)c1nc(-c2cc(OCCN3CCCC3)ccn2)nc2c1CCC2
InChIInChI=1S/C23H31N5O3.C2H6/c1-3-30-21(29)16-27(2)23-18-7-6-8-19(18)25-22(26-23)20-15-17(9-10-24-20)31-14-13-28-11-4-5-12-28;1-2/h9-10,15H,3-8,11-14,16H2,1-2H3;1-2H3
InChIKeyHIYIBVSDQWGCEG-UHFFFAOYSA-N
XLogP3.53
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate (CID 157032049) is ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate is CC.CCOC(=O)CN(C)c1nc(-c2cc(OCCN3CCCC3)ccn2)nc2c1CCC2.
What is the InChIKey of ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The InChIKey is HIYIBVSDQWGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3.C2H6/c1-3-30-21(29)16-27(2)23-18-7-6-8-19(18)25-22(26-23)20-15-17(9-10-24-20)31-14-13-28-11-4-5-12-28;1-2/h9-10,15H,3-8,11-14,16H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate has a molecular weight of 455.60 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 157032049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).