6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione

C19H21N5O2 — CID 170239944

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione
SMILESCCC1C=CC2(CC(=O)c3c(C)cc(Nc4cc(N)ncn4)c(=O)n32)C1
InChIInChI=1S/C19H21N5O2/c1-3-12-4-5-19(8-12)9-14(25)17-11(2)6-13(18(26)24(17)19)23-16-7-15(20)21-10-22-16/h4-7,10,12H,3,8-9H2,1-2H3,(H3,20,21,22,23)
InChIKeyJJZZBMCHSYJEBV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.54
Rot. Bonds3

About 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione (PubChem CID 170239944) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione
PubChem CID170239944
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione
SMILESCCC1C=CC2(CC(=O)c3c(C)cc(Nc4cc(N)ncn4)c(=O)n32)C1
InChIInChI=1S/C19H21N5O2/c1-3-12-4-5-19(8-12)9-14(25)17-11(2)6-13(18(26)24(17)19)23-16-7-15(20)21-10-22-16/h4-7,10,12H,3,8-9H2,1-2H3,(H3,20,21,22,23)
InChIKeyJJZZBMCHSYJEBV-UHFFFAOYSA-N
XLogP2.54
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157430130
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
6-[(6-aminopyrimidin-4-yl)amino]-5'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclohexene]-1,5-dione
CID 167457391
CID 178083822
CID 178083822
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
CID 177163117
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
(3R)-6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-3-[3-(1-methylcyclopropyl)propyl]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 167457448
CID 166460731
CID 166460731
8-[(6-aminopyrimidin-4-yl)amino]-10-methyl-2,3,4,5-tetrahydropyrido[1,2-a][1,4]diazepine-1,7-dione
CID 118599020
CID 167457399
CID 167457399
CID 167457384
CID 167457384
(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
CID 162431014

Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione (CID 170239944) is 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione is CCC1C=CC2(CC(=O)c3c(C)cc(Nc4cc(N)ncn4)c(=O)n32)C1.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione?
The InChIKey is JJZZBMCHSYJEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-12-4-5-19(8-12)9-14(25)17-11(2)6-13(18(26)24(17)19)23-16-7-15(20)21-10-22-16/h4-7,10,12H,3,8-9H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione has a molecular weight of 351.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-5'-ethyl-8-methylspiro[2H-indolizine-3,3'-cyclopentene]-1,5-dione is sourced from PubChem (CID 170239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).