8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde

C8H9N3O2 — CID 82409745

IUPAC8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde
SMILESO=Cc1c2n(cnc1=O)CCCN2
InChIInChI=1S/C8H9N3O2/c12-4-6-7-9-2-1-3-11(7)5-10-8(6)13/h4-5,9H,1-3H2
InChIKeyXANHYEPTWHJWGS-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.13
Rot. Bonds1

About 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde

8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde (PubChem CID 82409745) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde.

Molecular Properties

Compound Name8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde
PubChem CID82409745
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde
SMILESO=Cc1c2n(cnc1=O)CCCN2
InChIInChI=1S/C8H9N3O2/c12-4-6-7-9-2-1-3-11(7)5-10-8(6)13/h4-5,9H,1-3H2
InChIKeyXANHYEPTWHJWGS-UHFFFAOYSA-N
XLogP-0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The IUPAC name of 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde (CID 82409745) is 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde.
What is the SMILES notation for 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The canonical SMILES for 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde is O=Cc1c2n(cnc1=O)CCCN2.
What is the InChIKey of 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The InChIKey is XANHYEPTWHJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-4-6-7-9-2-1-3-11(7)5-10-8(6)13/h4-5,9H,1-3H2.
What are the key properties of 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde?
8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde has a molecular weight of 179.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde is sourced from PubChem (CID 82409745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).