ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate

C20H21N5O2 — CID 157029613

IUPACethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CN(C)c1nc(-c2cc3cnccc3cn2)nc2c1CCC2
InChIInChI=1S/C20H21N5O2/c1-3-27-18(26)12-25(2)20-15-5-4-6-16(15)23-19(24-20)17-9-14-10-21-8-7-13(14)11-22-17/h7-11H,3-6,12H2,1-2H3
InChIKeyMGDVTRGICHTDGM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate

ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate (PubChem CID 157029613) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
PubChem CID157029613
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Nameethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CN(C)c1nc(-c2cc3cnccc3cn2)nc2c1CCC2
InChIInChI=1S/C20H21N5O2/c1-3-27-18(26)12-25(2)20-15-5-4-6-16(15)23-19(24-20)17-9-14-10-21-8-7-13(14)11-22-17/h7-11H,3-6,12H2,1-2H3
InChIKeyMGDVTRGICHTDGM-UHFFFAOYSA-N
XLogP2.57
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

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
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085
2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 170202506
N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 170202495
2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
CID 157030264
2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 170202535
2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030249
N-ethyl-2-[[2-[4-[(2R)-2-hydroxybutoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029503
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
3-[2-[4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]propyl N-methylcarbamate
CID 167524611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate (CID 157029613) is ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate is CCOC(=O)CN(C)c1nc(-c2cc3cnccc3cn2)nc2c1CCC2.
What is the InChIKey of ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
The InChIKey is MGDVTRGICHTDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-27-18(26)12-25(2)20-15-5-4-6-16(15)23-19(24-20)17-9-14-10-21-8-7-13(14)11-22-17/h7-11H,3-6,12H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate?
ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate has a molecular weight of 363.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 157029613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).