7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one

C15H22N6O — CID 91961913

IUPAC7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCC(C)C1Nc2nc(C)nc(N3CCN=C3C)c2NC1=O
InChIInChI=1S/C15H22N6O/c1-5-8(2)11-15(22)20-12-13(19-11)17-9(3)18-14(12)21-7-6-16-10(21)4/h8,11H,5-7H2,1-4H3,(H,20,22)(H,17,18,19)
InChIKeyNEHDGONTJHZVJL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.80
Rot. Bonds3

About 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one

7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961913) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961913
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCC(C)C1Nc2nc(C)nc(N3CCN=C3C)c2NC1=O
InChIInChI=1S/C15H22N6O/c1-5-8(2)11-15(22)20-12-13(19-11)17-9(3)18-14(12)21-7-6-16-10(21)4/h8,11H,5-7H2,1-4H3,(H,20,22)(H,17,18,19)
InChIKeyNEHDGONTJHZVJL-UHFFFAOYSA-N
XLogP1.80
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961866
7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
CID 91961707
7-butan-2-yl-2-methyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
CID 91961909
7-butan-2-yl-2-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
CID 91961935
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one
CID 91961686
3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79306595
(2S)-2-[(2S)-butan-2-yl]-3-oxo-1,2,4,6-tetrahydropyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375694
2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961876
(3R)-3-butan-2-ylpiperazine-2,5-dione
CID 77105669
(3R)-3-[(2S)-butan-2-yl]piperazine-2,5-dione
CID 129365875
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64883688

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one (CID 91961913) is 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one is CCC(C)C1Nc2nc(C)nc(N3CCN=C3C)c2NC1=O.
What is the InChIKey of 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is NEHDGONTJHZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-8(2)11-15(22)20-12-13(19-11)17-9(3)18-14(12)21-7-6-16-10(21)4/h8,11H,5-7H2,1-4H3,(H,20,22)(H,17,18,19).
What are the key properties of 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 302.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-methyl-4-(2-methyl-4,5-dihydroimidazol-1-yl)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).