6,7,7-trimethyl-8H-pteridine

C9H12N4 — CID 45099654

IUPAC6,7,7-trimethyl-8H-pteridine
SMILESCC1=Nc2cncnc2NC1(C)C
InChIInChI=1S/C9H12N4/c1-6-9(2,3)13-8-7(12-6)4-10-5-11-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeyYKZGDSLHHHUDJO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.77
Rot. Bonds

About 6,7,7-trimethyl-8H-pteridine

6,7,7-trimethyl-8H-pteridine (PubChem CID 45099654) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6,7,7-trimethyl-8H-pteridine.

Molecular Properties

Compound Name6,7,7-trimethyl-8H-pteridine
PubChem CID45099654
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6,7,7-trimethyl-8H-pteridine
SMILESCC1=Nc2cncnc2NC1(C)C
InChIInChI=1S/C9H12N4/c1-6-9(2,3)13-8-7(12-6)4-10-5-11-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeyYKZGDSLHHHUDJO-UHFFFAOYSA-N
XLogP1.77
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
CID 67777070
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
CID 71743448
6,6-dimethyl-5,7-dihydropyrrolo[3,2-d]pyrimidine
CID 175273370
(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol
CID 175812849
3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
CID 4311777
7,7-dimethylpyrimido[5,4-e][1,4]diazepine
CID 142157693
2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
CID 142470448
ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine
CID 143903022
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
8-(8,9-dihydro-7H-purin-8-yl)-8,9-dihydro-7H-purine
CID 71429070
[2-(4-methylpyrimidin-5-yl)-1H-imidazol-5-yl]methanol
CID 130987334
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280

Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethyl-8H-pteridine?
The IUPAC name of 6,7,7-trimethyl-8H-pteridine (CID 45099654) is 6,7,7-trimethyl-8H-pteridine.
What is the SMILES notation for 6,7,7-trimethyl-8H-pteridine?
The canonical SMILES for 6,7,7-trimethyl-8H-pteridine is CC1=Nc2cncnc2NC1(C)C.
What is the InChIKey of 6,7,7-trimethyl-8H-pteridine?
The InChIKey is YKZGDSLHHHUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-9(2,3)13-8-7(12-6)4-10-5-11-8/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of 6,7,7-trimethyl-8H-pteridine?
6,7,7-trimethyl-8H-pteridine has a molecular weight of 176.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethyl-8H-pteridine is sourced from PubChem (CID 45099654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).