6-methyl-6,7,8,9-tetrahydro-3H-purine

C6H10N4 — CID 171816845

IUPAC6-methyl-6,7,8,9-tetrahydro-3H-purine
SMILESCC1N=CNC2=C1NCN2
InChIInChI=1S/C6H10N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2,4,8,10H,3H2,1H3,(H,7,9)
InChIKeyDESJIRIGIQZZDU-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.67
Rot. Bonds

About 6-methyl-6,7,8,9-tetrahydro-3H-purine

6-methyl-6,7,8,9-tetrahydro-3H-purine (PubChem CID 171816845) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-methyl-6,7,8,9-tetrahydro-3H-purine.

Molecular Properties

Compound Name6-methyl-6,7,8,9-tetrahydro-3H-purine
PubChem CID171816845
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6-methyl-6,7,8,9-tetrahydro-3H-purine
SMILESCC1N=CNC2=C1NCN2
InChIInChI=1S/C6H10N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2,4,8,10H,3H2,1H3,(H,7,9)
InChIKeyDESJIRIGIQZZDU-UHFFFAOYSA-N
XLogP-0.67
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-1,2,3,4-tetrahydropurin-6-amine
CID 171344344
6-Tetrahydro-6-amino purine
CID 153966157
4-Methyladenine
CID 123132015
6,7,8,9-tetrahydro-3H-purine
CID 57306527
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
4,7,8,9-tetrahydro-1H-purin-6-amine
CID 131970281
Ethane;9-methyl-3,6,7,8-tetrahydropurin-6-amine
CID 141790516
N'-[2-amino-5-(1-aminoethyl)-2,3-dihydro-1H-imidazol-4-yl]methanimidamide;ethane
CID 141790520
4-N,4-dimethyl-1H-pyrimidine-4,5,6-triamine
CID 149647618
(5-Amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
CID 163453184
6-N-ethyl-4-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 166763489
1,2,2,3,4,9-Hexadeuteriopurin-6-amine
CID 175854136

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7,8,9-tetrahydro-3H-purine?
The IUPAC name of 6-methyl-6,7,8,9-tetrahydro-3H-purine (CID 171816845) is 6-methyl-6,7,8,9-tetrahydro-3H-purine.
What is the SMILES notation for 6-methyl-6,7,8,9-tetrahydro-3H-purine?
The canonical SMILES for 6-methyl-6,7,8,9-tetrahydro-3H-purine is CC1N=CNC2=C1NCN2.
What is the InChIKey of 6-methyl-6,7,8,9-tetrahydro-3H-purine?
The InChIKey is DESJIRIGIQZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2,4,8,10H,3H2,1H3,(H,7,9).
What are the key properties of 6-methyl-6,7,8,9-tetrahydro-3H-purine?
6-methyl-6,7,8,9-tetrahydro-3H-purine has a molecular weight of 138.17 g/mol, XLogP of -0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7,8,9-tetrahydro-3H-purine is sourced from PubChem (CID 171816845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).