2,9-dimethyl-3,6-dihydropurine

C7H10N4 — CID 142059765

IUPAC2,9-dimethyl-3,6-dihydropurine
SMILESCC1=NCc2ncn(C)c2N1
InChIInChI=1S/C7H10N4/c1-5-8-3-6-7(10-5)11(2)4-9-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyJXCLWMNLNCMFBL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.76
Rot. Bonds

About 2,9-dimethyl-3,6-dihydropurine

2,9-dimethyl-3,6-dihydropurine (PubChem CID 142059765) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,9-dimethyl-3,6-dihydropurine.

Molecular Properties

Compound Name2,9-dimethyl-3,6-dihydropurine
PubChem CID142059765
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2,9-dimethyl-3,6-dihydropurine
SMILESCC1=NCc2ncn(C)c2N1
InChIInChI=1S/C7H10N4/c1-5-8-3-6-7(10-5)11(2)4-9-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyJXCLWMNLNCMFBL-UHFFFAOYSA-N
XLogP0.76
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridine-6-carboxylate
CID 163748228
methane;1,4,5-trimethylimidazole
CID 157422671
4-chloro-1,5-dimethylimidazole
CID 59999519
3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
CID 58398166
9-methyl-2,3-dihydro-1H-purin-6-one
CID 121345580
2,5-dimethyl-1,4-dihydropyrimidin-6-ol
CID 173444876
3-methyl-4,7-dihydroimidazo[4,5-c]pyridine
CID 160646561
9-methyl-3,6-dihydropurin-6-amine
CID 59926192
3,7-dimethyl-8,9-dihydropurin-6-one
CID 174323807
4-(1,5-dimethylimidazol-4-yl)piperidine
CID 84657143
N,9-dimethyl-2,3-dihydro-1H-purin-6-imine
CID 148696430
1-methylimidazole-4,5-diamine;hydrochloride
CID 55288566

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3,6-dihydropurine?
The IUPAC name of 2,9-dimethyl-3,6-dihydropurine (CID 142059765) is 2,9-dimethyl-3,6-dihydropurine.
What is the SMILES notation for 2,9-dimethyl-3,6-dihydropurine?
The canonical SMILES for 2,9-dimethyl-3,6-dihydropurine is CC1=NCc2ncn(C)c2N1.
What is the InChIKey of 2,9-dimethyl-3,6-dihydropurine?
The InChIKey is JXCLWMNLNCMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-5-8-3-6-7(10-5)11(2)4-9-6/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of 2,9-dimethyl-3,6-dihydropurine?
2,9-dimethyl-3,6-dihydropurine has a molecular weight of 150.18 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3,6-dihydropurine is sourced from PubChem (CID 142059765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).