8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde

C17H22N6O — CID 175275366

IUPAC8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1
InChIInChI=1S/C17H22N6O/c1-3-13-15(10-24)21(2)14-9-19-17(22-8-7-18-11-22)20-16(14)23(13)12-5-4-6-12/h7-13,15H,3-6H2,1-2H3
InChIKeyMDCZAURTCDEBJP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds4

About 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde

8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 175275366) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID175275366
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1
InChIInChI=1S/C17H22N6O/c1-3-13-15(10-24)21(2)14-9-19-17(22-8-7-18-11-22)20-16(14)23(13)12-5-4-6-12/h7-13,15H,3-6H2,1-2H3
InChIKeyMDCZAURTCDEBJP-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde (CID 175275366) is 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1.
What is the InChIKey of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is MDCZAURTCDEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-13-15(10-24)21(2)14-9-19-17(22-8-7-18-11-22)20-16(14)23(13)12-5-4-6-12/h7-13,15H,3-6H2,1-2H3.
What are the key properties of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde?
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 326.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 175275366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).