(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one

C7H8N4O — CID 67777070

IUPAC(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESC[C@@H]1Nc2ncncc2NC1=O
InChIInChI=1S/C7H8N4O/c1-4-7(12)11-5-2-8-3-9-6(5)10-4/h2-4H,1H3,(H,11,12)(H,8,9,10)/t4-/m0/s1
InChIKeyVLBKSFFDAWLLFB-BYPYZUCNSA-N
MW164.17 g/mol
LogP0.23
Rot. Bonds

About (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one

(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 67777070) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
PubChem CID67777070
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
SMILESC[C@@H]1Nc2ncncc2NC1=O
InChIInChI=1S/C7H8N4O/c1-4-7(12)11-5-2-8-3-9-6(5)10-4/h2-4H,1H3,(H,11,12)(H,8,9,10)/t4-/m0/s1
InChIKeyVLBKSFFDAWLLFB-BYPYZUCNSA-N
XLogP0.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl)carbamate
CID 123835459
tert-butyl N-[(7S)-6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl]carbamate
CID 90351309
(3S)-6,7-dichloro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 62706932
4-[(3-amino-2,2-dimethylpropyl)amino]-7-methyl-7,8-dihydro-5H-pteridin-6-one
CID 101078766
6,6-dimethyl-5,7-dihydropyrrolo[3,2-d]pyrimidine
CID 175273370
3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571880
6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 22619823
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 15337296
6-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 11571897
8-(trifluoromethyl)-6,8-dihydropyrrolo[2,3-g]quinazolin-7-one
CID 175813259
1,2-dihydro-[1,3]thiazolo[5,4-d]pyrimidin-2-ol
CID 175215147

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one (CID 67777070) is (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one is C[C@@H]1Nc2ncncc2NC1=O.
What is the InChIKey of (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is VLBKSFFDAWLLFB-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-7(12)11-5-2-8-3-9-6(5)10-4/h2-4H,1H3,(H,11,12)(H,8,9,10)/t4-/m0/s1.
What are the key properties of (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one?
(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 164.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 67777070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).