2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde

C8H6N4O2 — CID 135604539

IUPAC2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
SMILESNc1nc2ccc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C8H6N4O2/c9-8-11-5-2-1-4(3-13)10-6(5)7(14)12-8/h1-3H,(H3,9,11,12,14)
InChIKeyOGMQBLLPSKBCOX-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.29
Rot. Bonds1

About 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde

2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde (PubChem CID 135604539) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
PubChem CID135604539
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
SMILESNc1nc2ccc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C8H6N4O2/c9-8-11-5-2-1-4(3-13)10-6(5)7(14)12-8/h1-3H,(H3,9,11,12,14)
InChIKeyOGMQBLLPSKBCOX-UHFFFAOYSA-N
XLogP-0.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135741629
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
CID 137003628
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzaldehyde
CID 137084033
2-amino-6-ethynyl-3H-quinazolin-4-one
CID 163214057
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-5,8-dihydroxy-3H-quinazolin-4-one
CID 137175521
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde (CID 135604539) is 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde is Nc1nc2ccc(C=O)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde?
The InChIKey is OGMQBLLPSKBCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-8-11-5-2-1-4(3-13)10-6(5)7(14)12-8/h1-3H,(H3,9,11,12,14).
What are the key properties of 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde?
2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde has a molecular weight of 190.16 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 135604539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).