4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde

C8H10N4O — CID 23422330

IUPAC4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde
SMILESCc1ncnc2c1N(C=O)CCN2
InChIInChI=1S/C8H10N4O/c1-6-7-8(11-4-10-6)9-2-3-12(7)5-13/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyMNTJNZWUFABNDE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.17
Rot. Bonds1

About 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde

4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde (PubChem CID 23422330) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde
PubChem CID23422330
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde
SMILESCc1ncnc2c1N(C=O)CCN2
InChIInChI=1S/C8H10N4O/c1-6-7-8(11-4-10-6)9-2-3-12(7)5-13/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyMNTJNZWUFABNDE-UHFFFAOYSA-N
XLogP0.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde?
The IUPAC name of 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde (CID 23422330) is 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde.
What is the SMILES notation for 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde?
The canonical SMILES for 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde is Cc1ncnc2c1N(C=O)CCN2.
What is the InChIKey of 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde?
The InChIKey is MNTJNZWUFABNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6-7-8(11-4-10-6)9-2-3-12(7)5-13/h4-5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde?
4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-dihydro-6H-pteridine-5-carbaldehyde is sourced from PubChem (CID 23422330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).