ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate

C20H25N5O2 — CID 22543201

IUPACethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc(N3CCc4ccccc43)c2N)C1
InChIInChI=1S/C20H25N5O2/c1-2-27-20(26)15-7-5-10-24(12-15)18-17(21)19(23-13-22-18)25-11-9-14-6-3-4-8-16(14)25/h3-4,6,8,13,15H,2,5,7,9-12,21H2,1H3
InChIKeyRSENHWKPPZPZEK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.53
Rot. Bonds4

About ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate

ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate (PubChem CID 22543201) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
PubChem CID22543201
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Nameethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc(N3CCc4ccccc43)c2N)C1
InChIInChI=1S/C20H25N5O2/c1-2-27-20(26)15-7-5-10-24(12-15)18-17(21)19(23-13-22-18)25-11-9-14-6-3-4-8-16(14)25/h3-4,6,8,13,15H,2,5,7,9-12,21H2,1H3
InChIKeyRSENHWKPPZPZEK-UHFFFAOYSA-N
XLogP2.53
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142243
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
ethyl 1-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142266
ethyl 1-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 22544075
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
ethyl 1-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142332
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349
ethyl 1-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142235
ethyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142289
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate (CID 22543201) is ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncnc(N3CCc4ccccc43)c2N)C1.
What is the InChIKey of ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The InChIKey is RSENHWKPPZPZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-27-20(26)15-7-5-10-24(12-15)18-17(21)19(23-13-22-18)25-11-9-14-6-3-4-8-16(14)25/h3-4,6,8,13,15H,2,5,7,9-12,21H2,1H3.
What are the key properties of ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 22543201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).