methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate

C8H8N4O2 — CID 76849877

IUPACmethyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnc2cncn2c1N
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-2-11-6-3-10-4-12(6)7(5)9/h2-4H,9H2,1H3
InChIKeyAAMBXTAGHUYASA-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.10
Rot. Bonds1

About methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate

methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 76849877) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate
PubChem CID76849877
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnc2cncn2c1N
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-2-11-6-3-10-4-12(6)7(5)9/h2-4H,9H2,1H3
InChIKeyAAMBXTAGHUYASA-UHFFFAOYSA-N
XLogP0.10
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
methyl 5,8-dimethylimidazo[1,5-a]pyridine-6-carboxylate
CID 167289498
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate
CID 130741870
methyl 2,4-diamino-3-[(3-ethylimidazol-4-yl)methyl]benzoate
CID 175522650
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate (CID 76849877) is methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1cnc2cncn2c1N.
What is the InChIKey of methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is AAMBXTAGHUYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)5-2-11-6-3-10-4-12(6)7(5)9/h2-4H,9H2,1H3.
What are the key properties of methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate?
methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 76849877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).