2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde

C22H20N4O — CID 88854213

IUPAC2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde
SMILESO=Cc1nc(C2CC2)nc2c1NC(c1ccccc1)C(c1ccccc1)N2
InChIInChI=1S/C22H20N4O/c27-13-17-20-22(26-21(23-17)16-11-12-16)25-19(15-9-5-2-6-10-15)18(24-20)14-7-3-1-4-8-14/h1-10,13,16,18-19,24H,11-12H2,(H,23,25,26)
InChIKeyHNKUCPMHPNCQES-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.49
Rot. Bonds4

About 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde

2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde (PubChem CID 88854213) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde
PubChem CID88854213
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde
SMILESO=Cc1nc(C2CC2)nc2c1NC(c1ccccc1)C(c1ccccc1)N2
InChIInChI=1S/C22H20N4O/c27-13-17-20-22(26-21(23-17)16-11-12-16)25-19(15-9-5-2-6-10-15)18(24-20)14-7-3-1-4-8-14/h1-10,13,16,18-19,24H,11-12H2,(H,23,25,26)
InChIKeyHNKUCPMHPNCQES-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
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 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde (CID 88854213) is 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde is O=Cc1nc(C2CC2)nc2c1NC(c1ccccc1)C(c1ccccc1)N2.
What is the InChIKey of 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde?
The InChIKey is HNKUCPMHPNCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-13-17-20-22(26-21(23-17)16-11-12-16)25-19(15-9-5-2-6-10-15)18(24-20)14-7-3-1-4-8-14/h1-10,13,16,18-19,24H,11-12H2,(H,23,25,26).
What are the key properties of 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde?
2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde has a molecular weight of 356.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde is sourced from PubChem (CID 88854213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).