6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C7H10N4O — CID 135703372

IUPAC6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC1CNc2nc[nH]c(=O)c2N1
InChIInChI=1S/C7H10N4O/c1-4-2-8-6-5(11-4)7(12)10-3-9-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12)
InChIKeyMCVKVAZOVJGMHM-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.00
Rot. Bonds

About 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135703372) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135703372
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC1CNc2nc[nH]c(=O)c2N1
InChIInChI=1S/C7H10N4O/c1-4-2-8-6-5(11-4)7(12)10-3-9-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12)
InChIKeyMCVKVAZOVJGMHM-UHFFFAOYSA-N
XLogP-0.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
(+/-)-6-Methyl-5,6,7,8-tetrahydropterine dihydrochloride
CID 135445757
Tetrahydropterin
CID 135453284
2-Methylamino-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135519036
6,6-Dimethyltetrahydropterin
CID 135537086
4(3H)-Pteridinone, 7,8-dihydro-
CID 135743866

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135703372) is 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC1CNc2nc[nH]c(=O)c2N1.
What is the InChIKey of 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is MCVKVAZOVJGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4-2-8-6-5(11-4)7(12)10-3-9-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12).
What are the key properties of 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 166.18 g/mol, XLogP of -0.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135703372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).