8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one

C16H20N6O — CID 67261461

IUPAC8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1
InChIInChI=1S/C16H20N6O/c1-3-12-15(23)20(2)13-9-18-16(21-8-7-17-10-21)19-14(13)22(12)11-5-4-6-11/h7-12H,3-6H2,1-2H3
InChIKeyKYARREJWJLYAJF-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.78
Rot. Bonds3

About 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one

8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one (PubChem CID 67261461) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
PubChem CID67261461
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1
InChIInChI=1S/C16H20N6O/c1-3-12-15(23)20(2)13-9-18-16(21-8-7-17-10-21)19-14(13)22(12)11-5-4-6-11/h7-12H,3-6H2,1-2H3
InChIKeyKYARREJWJLYAJF-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175275366
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
CID 67369748
8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 67261357
8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261320
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
(4R)-4-ethyl-7-imidazol-1-yl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959268
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The IUPAC name of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one (CID 67261461) is 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CCC1.
What is the InChIKey of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The InChIKey is KYARREJWJLYAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-12-15(23)20(2)13-9-18-16(21-8-7-17-10-21)19-14(13)22(12)11-5-4-6-11/h7-12H,3-6H2,1-2H3.
What are the key properties of 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one has a molecular weight of 312.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 67261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).