1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid

C10H10N4O4 — CID 15359662

IUPAC1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
SMILESCc1nc2c(nc1C(=O)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H10N4O4/c1-4-5(9(16)17)12-6-7(11-4)13(2)10(18)14(3)8(6)15/h1-3H3,(H,16,17)
InChIKeyCVEKZDOGPJQWDN-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.97
Rot. Bonds1

About 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid

1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid (PubChem CID 15359662) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid.

Molecular Properties

Compound Name1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
PubChem CID15359662
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
SMILESCc1nc2c(nc1C(=O)O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H10N4O4/c1-4-5(9(16)17)12-6-7(11-4)13(2)10(18)14(3)8(6)15/h1-3H3,(H,16,17)
InChIKeyCVEKZDOGPJQWDN-UHFFFAOYSA-N
XLogP-0.97
TPSA107.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid?
The IUPAC name of 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid (CID 15359662) is 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid.
What is the SMILES notation for 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid?
The canonical SMILES for 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid is Cc1nc2c(nc1C(=O)O)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid?
The InChIKey is CVEKZDOGPJQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-4-5(9(16)17)12-6-7(11-4)13(2)10(18)14(3)8(6)15/h1-3H3,(H,16,17).
What are the key properties of 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid?
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid is sourced from PubChem (CID 15359662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).