2,2-dimethyl-3,7-dihydropurine

C7H10N4 — CID 67019435

IUPAC2,2-dimethyl-3,7-dihydropurine
SMILESCC1(C)N=Cc2[nH]cnc2N1
InChIInChI=1S/C7H10N4/c1-7(2)10-3-5-6(11-7)9-4-8-5/h3-4,11H,1-2H3,(H,8,9)
InChIKeyFDLCJKMWMGCNIW-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.99
Rot. Bonds

About 2,2-dimethyl-3,7-dihydropurine

2,2-dimethyl-3,7-dihydropurine (PubChem CID 67019435) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 2,2-dimethyl-3,7-dihydropurine.

Molecular Properties

Compound Name2,2-dimethyl-3,7-dihydropurine
PubChem CID67019435
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name2,2-dimethyl-3,7-dihydropurine
SMILESCC1(C)N=Cc2[nH]cnc2N1
InChIInChI=1S/C7H10N4/c1-7(2)10-3-5-6(11-7)9-4-8-5/h3-4,11H,1-2H3,(H,8,9)
InChIKeyFDLCJKMWMGCNIW-UHFFFAOYSA-N
XLogP0.99
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,7-dihydropurine?
The IUPAC name of 2,2-dimethyl-3,7-dihydropurine (CID 67019435) is 2,2-dimethyl-3,7-dihydropurine.
What is the SMILES notation for 2,2-dimethyl-3,7-dihydropurine?
The canonical SMILES for 2,2-dimethyl-3,7-dihydropurine is CC1(C)N=Cc2[nH]cnc2N1.
What is the InChIKey of 2,2-dimethyl-3,7-dihydropurine?
The InChIKey is FDLCJKMWMGCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-7(2)10-3-5-6(11-7)9-4-8-5/h3-4,11H,1-2H3,(H,8,9).
What are the key properties of 2,2-dimethyl-3,7-dihydropurine?
2,2-dimethyl-3,7-dihydropurine has a molecular weight of 150.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,7-dihydropurine is sourced from PubChem (CID 67019435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).