2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid

C8H7N5O4 — CID 136662787

IUPAC2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
SMILESCNc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C8H7N5O4/c1-9-8-12-4-2(5(14)13-8)10-3(7(16)17)6(15)11-4/h1H3,(H,16,17)(H3,9,11,12,13,14,15)
InChIKeyFUIPILQIFFZHHI-UHFFFAOYSA-N
MW237.17 g/mol
LogP-1.25
Rot. Bonds2

About 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid

2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid (PubChem CID 136662787) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
PubChem CID136662787
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
SMILESCNc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C8H7N5O4/c1-9-8-12-4-2(5(14)13-8)10-3(7(16)17)6(15)11-4/h1H3,(H,16,17)(H3,9,11,12,13,14,15)
InChIKeyFUIPILQIFFZHHI-UHFFFAOYSA-N
XLogP-1.25
TPSA140.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The IUPAC name of 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid (CID 136662787) is 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The canonical SMILES for 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid is CNc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The InChIKey is FUIPILQIFFZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c1-9-8-12-4-2(5(14)13-8)10-3(7(16)17)6(15)11-4/h1H3,(H,16,17)(H3,9,11,12,13,14,15).
What are the key properties of 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid is sourced from PubChem (CID 136662787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).