2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid

C13H13N3O3 — CID 114738851

IUPAC2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCc1occc1-c1nc2c(c(C(=O)O)n1)CNCC2
InChIInChI=1S/C13H13N3O3/c1-7-8(3-5-19-7)12-15-10-2-4-14-6-9(10)11(16-12)13(17)18/h3,5,14H,2,4,6H2,1H3,(H,17,18)
InChIKeyPXHFRSKEGHMQNQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.39
Rot. Bonds2

About 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid

2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (PubChem CID 114738851) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
PubChem CID114738851
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
SMILESCc1occc1-c1nc2c(c(C(=O)O)n1)CNCC2
InChIInChI=1S/C13H13N3O3/c1-7-8(3-5-19-7)12-15-10-2-4-14-6-9(10)11(16-12)13(17)18/h3,5,14H,2,4,6H2,1H3,(H,17,18)
InChIKeyPXHFRSKEGHMQNQ-UHFFFAOYSA-N
XLogP1.39
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738775
2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738810
2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743090
methyl 2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738174
4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742965
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738183
methyl 2-(5-bromo-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738247
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482691
2-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]propanoic acid
CID 104790501

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid (CID 114738851) is 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is Cc1occc1-c1nc2c(c(C(=O)O)n1)CNCC2.
What is the InChIKey of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is PXHFRSKEGHMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7-8(3-5-19-7)12-15-10-2-4-14-6-9(10)11(16-12)13(17)18/h3,5,14H,2,4,6H2,1H3,(H,17,18).
What are the key properties of 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid?
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114738851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).