8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one

C19H20N8O — CID 67261320

IUPAC8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cnccn3)nc2N1C1CC1
InChIInChI=1S/C19H20N8O/c1-3-14-18(28)25(2)15-11-23-19(24-17(15)27(14)12-4-5-12)26-9-8-22-16(26)13-10-20-6-7-21-13/h6-12,14H,3-5H2,1-2H3
InChIKeyOCZIBCBAFOXGPL-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.84
Rot. Bonds4

About 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one

8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one (PubChem CID 67261320) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
PubChem CID67261320
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cnccn3)nc2N1C1CC1
InChIInChI=1S/C19H20N8O/c1-3-14-18(28)25(2)15-11-23-19(24-17(15)27(14)12-4-5-12)26-9-8-22-16(26)13-10-20-6-7-21-13/h6-12,14H,3-5H2,1-2H3
InChIKeyOCZIBCBAFOXGPL-UHFFFAOYSA-N
XLogP1.84
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
(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
(7R)-7-ethyl-5-methyl-8-(oxetan-3-yl)-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 58405849
8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777
8-amino-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one;hydrochloride
CID 67260078
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane
CID 158806567

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one?
The IUPAC name of 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one (CID 67261320) is 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3cnccn3)nc2N1C1CC1.
What is the InChIKey of 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one?
The InChIKey is OCZIBCBAFOXGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-3-14-18(28)25(2)15-11-23-19(24-17(15)27(14)12-4-5-12)26-9-8-22-16(26)13-10-20-6-7-21-13/h6-12,14H,3-5H2,1-2H3.
What are the key properties of 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one?
8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one has a molecular weight of 376.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one is sourced from PubChem (CID 67261320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).