ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate

C14H18N4O2 — CID 136841478

IUPACethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
SMILESCCOC(=O)C1CNc2c3ccc(N)cc3nn2C1C
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)11-7-16-13-10-5-4-9(15)6-12(10)17-18(13)8(11)2/h4-6,8,11,16H,3,7,15H2,1-2H3
InChIKeyIXHVSEUYSHTHMW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.78
Rot. Bonds2

About ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate

ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate (PubChem CID 136841478) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
PubChem CID136841478
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
SMILESCCOC(=O)C1CNc2c3ccc(N)cc3nn2C1C
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)11-7-16-13-10-5-4-9(15)6-12(10)17-18(13)8(11)2/h4-6,8,11,16H,3,7,15H2,1-2H3
InChIKeyIXHVSEUYSHTHMW-UHFFFAOYSA-N
XLogP1.78
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
CID 136840747
ethyl 7-methyl-2-(methylamino)-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136709588
ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136839792
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
CID 129394247
ethyl (1S)-2-(6-chloroisoquinolin-1-yl)cyclopropane-1-carboxylate
CID 171099252
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
ethyl 1-acetyl-4-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 54057222

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The IUPAC name of ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate (CID 136841478) is ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The canonical SMILES for ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate is CCOC(=O)C1CNc2c3ccc(N)cc3nn2C1C.
What is the InChIKey of ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The InChIKey is IXHVSEUYSHTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14(19)11-7-16-13-10-5-4-9(15)6-12(10)17-18(13)8(11)2/h4-6,8,11,16H,3,7,15H2,1-2H3.
What are the key properties of ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate is sourced from PubChem (CID 136841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).