4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C10H13N3O3 — CID 91224308

IUPAC4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C10H13N3O3/c1-6-11-8-5-13(10(14)15)4-3-7(8)9(12-6)16-2/h3-5H2,1-2H3,(H,14,15)
InChIKeyJDVARURMLOJCDN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.83
Rot. Bonds1

About 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 91224308) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID91224308
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCOc1nc(C)nc2c1CCN(C(=O)O)C2
InChIInChI=1S/C10H13N3O3/c1-6-11-8-5-13(10(14)15)4-3-7(8)9(12-6)16-2/h3-5H2,1-2H3,(H,14,15)
InChIKeyJDVARURMLOJCDN-UHFFFAOYSA-N
XLogP0.83
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
2-tert-butyl-4-(trifluoromethylsulfonyloxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 134279673
4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635934
2-Cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636045
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 163223046
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 163223212
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 22707067
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
CID 50990943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 91224308) is 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is COc1nc(C)nc2c1CCN(C(=O)O)C2.
What is the InChIKey of 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is JDVARURMLOJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-8-5-13(10(14)15)4-3-7(8)9(12-6)16-2/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 91224308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).