2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde

C8H7N5O — CID 71318701

IUPAC2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(N)c2nc(C=O)ccc2n1
InChIInChI=1S/C8H7N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-3H,(H4,9,10,12,13)
InChIKeyVUPAGIQIPGRNOO-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.00
Rot. Bonds1

About 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde

2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde (PubChem CID 71318701) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
PubChem CID71318701
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
SMILESNc1nc(N)c2nc(C=O)ccc2n1
InChIInChI=1S/C8H7N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-3H,(H4,9,10,12,13)
InChIKeyVUPAGIQIPGRNOO-UHFFFAOYSA-N
XLogP0.00
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde (CID 71318701) is 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde is Nc1nc(N)c2nc(C=O)ccc2n1.
What is the InChIKey of 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde?
The InChIKey is VUPAGIQIPGRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-7-6-5(12-8(10)13-7)2-1-4(3-14)11-6/h1-3H,(H4,9,10,12,13).
What are the key properties of 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde?
2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde has a molecular weight of 189.18 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 71318701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).