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

C11H15N3O3 — CID 83824495

IUPAC2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCOCc1nc2c(c(C(=O)O)n1)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-14-4-3-8-7(5-14)10(11(15)16)13-9(12-8)6-17-2/h3-6H2,1-2H3,(H,15,16)
InChIKeyIZCFDIAGCFKOMZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.31
Rot. Bonds3

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

2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid (PubChem CID 83824495) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid
PubChem CID83824495
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCOCc1nc2c(c(C(=O)O)n1)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-14-4-3-8-7(5-14)10(11(15)16)13-9(12-8)6-17-2/h3-6H2,1-2H3,(H,15,16)
InChIKeyIZCFDIAGCFKOMZ-UHFFFAOYSA-N
XLogP0.31
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid (CID 83824495) is 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid is COCc1nc2c(c(C(=O)O)n1)CN(C)CC2.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is IZCFDIAGCFKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-4-3-8-7(5-14)10(11(15)16)13-9(12-8)6-17-2/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid?
2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83824495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).