methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate

C9H8N4O2 — CID 123654209

IUPACmethyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(N)c2n1
InChIInChI=1S/C9H8N4O2/c1-15-9(14)6-3-2-5-7(13-6)8(10)12-4-11-5/h2-4H,1H3,(H2,10,11,12)
InChIKeyIRNAKRIIKQEPGU-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.39
Rot. Bonds1

About methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate

methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 123654209) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID123654209
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Namemethyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(N)c2n1
InChIInChI=1S/C9H8N4O2/c1-15-9(14)6-3-2-5-7(13-6)8(10)12-4-11-5/h2-4H,1H3,(H2,10,11,12)
InChIKeyIRNAKRIIKQEPGU-UHFFFAOYSA-N
XLogP0.39
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoate
CID 281163
Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
CID 393093
Pyrido[2,3-b]pyrazine-6-carboxylic acid
CID 4739091
Methyl 3H-imidazo[4,5-b]pyridine-5-carboxylate
CID 53989929
Methyl 3-methyl-3H-imidazo(4,5-c)pyridine-6-carboxylate
CID 68056627
Pyrido(2,3) pyrimidine-6-carboxylic acid
CID 69724053
ethyl 5-{[5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}pyridine-2-carboxylate
CID 68975122
Formyl 4-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidine-6-carboxylate
CID 87282985
methyl 2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyrimidine-6-carboxylate
CID 156276273
Methyl 2-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyrimidine-6-carboxylate
CID 156276274
Methyl 5-[(3-amino-2-pyridinyl)amino]-3-fluoropyridine-2-carboxylate
CID 172532111
Methyl 5-[[2-(3-methylimidazol-4-yl)-6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pyridine-2-carboxylate
CID 177772655

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate (CID 123654209) is methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1ccc2ncnc(N)c2n1.
What is the InChIKey of methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is IRNAKRIIKQEPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-15-9(14)6-3-2-5-7(13-6)8(10)12-4-11-5/h2-4H,1H3,(H2,10,11,12).
What are the key properties of methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminopyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 123654209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).