ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate

C19H24N4O2 — CID 151934246

IUPACethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2n1CCc1cnc(NC3CCCCC3)nc1-2
InChIInChI=1S/C19H24N4O2/c1-2-25-18(24)16-9-8-15-17-13(10-11-23(15)16)12-20-19(22-17)21-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21,22)
InChIKeySZLHBOUFOJSTJJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.42
Rot. Bonds4

About ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate

ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate (PubChem CID 151934246) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
PubChem CID151934246
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nameethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
SMILESCCOC(=O)c1ccc2n1CCc1cnc(NC3CCCCC3)nc1-2
InChIInChI=1S/C19H24N4O2/c1-2-25-18(24)16-9-8-15-17-13(10-11-23(15)16)12-20-19(22-17)21-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21,22)
InChIKeySZLHBOUFOJSTJJ-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190895
2-(2-aminopyrimidin-4-yl)-6-[(benzyloxy)methyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23582586
trans-3-Oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[4-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 9930851
3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
(r)-2-(2-Amino-pyrimidin-4-yl)-6-benzyloxymethyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 25194016
ethyl 8-anilino-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
CID 44232942
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
Methyl 3-(4-fluorophenyl)-1-methyl-5-(piperidin-4-ylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419782
Methyl 5-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419787
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The IUPAC name of ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate (CID 151934246) is ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate is CCOC(=O)c1ccc2n1CCc1cnc(NC3CCCCC3)nc1-2.
What is the InChIKey of ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
The InChIKey is SZLHBOUFOJSTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-18(24)16-9-8-15-17-13(10-11-23(15)16)12-20-19(22-17)21-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21,22).
What are the key properties of ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate?
ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate is sourced from PubChem (CID 151934246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).