2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine

C10H9N7O4 — CID 71761480

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H5N5.C5H4N2O4/c6-4-3-5(9-1-7-3)10-2-8-4;8-3-1-2(4(9)10)6-5(11)7-3/h1-2H,(H3,6,7,8,9,10);1H,(H,9,10)(H2,6,7,8,11)
InChIKeyLVMZGNWJDWSWOE-UHFFFAOYSA-N
MW291.23 g/mol
LogP-1.30
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine (PubChem CID 71761480) has the molecular formula C10H9N7O4 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine
PubChem CID71761480
Molecular FormulaC10H9N7O4
Molecular Weight291.23 g/mol
Exact Mass291.07
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H5N5.C5H4N2O4/c6-4-3-5(9-1-7-3)10-2-8-4;8-3-1-2(4(9)10)6-5(11)7-3/h1-2H,(H3,6,7,8,9,10);1H,(H,9,10)(H2,6,7,8,11)
InChIKeyLVMZGNWJDWSWOE-UHFFFAOYSA-N
XLogP-1.30
TPSA183.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
benzamide;7H-purin-6-amine
CID 66705736
bis(7H-purin-6-amine);sulfate
CID 23616791
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
octadecanoic acid;7H-purin-6-amine
CID 141436047
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
5-aminopyridine-3-carboxamide;7H-purin-6-amine
CID 22262480
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine (CID 71761480) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine is Nc1ncnc2nc[nH]c12.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine?
The InChIKey is LVMZGNWJDWSWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C5H4N2O4/c6-4-3-5(9-1-7-3)10-2-8-4;8-3-1-2(4(9)10)6-5(11)7-3/h1-2H,(H3,6,7,8,9,10);1H,(H,9,10)(H2,6,7,8,11).
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine has a molecular weight of 291.23 g/mol, XLogP of -1.30, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;7H-purin-6-amine is sourced from PubChem (CID 71761480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).