7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride

C8H13Cl2N3 — CID 71743448

IUPAC7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
SMILESCC1(C)NCc2cncnc21.Cl.Cl
InChIInChI=1S/C8H11N3.2ClH/c1-8(2)7-6(4-11-8)3-9-5-10-7;;/h3,5,11H,4H2,1-2H3;2*1H
InChIKeyLQHXVIMEFOGXLV-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.66
Rot. Bonds

About 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride

7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride (PubChem CID 71743448) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
PubChem CID71743448
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Name7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
SMILESCC1(C)NCc2cncnc21.Cl.Cl
InChIInChI=1S/C8H11N3.2ClH/c1-8(2)7-6(4-11-8)3-9-5-10-7;;/h3,5,11H,4H2,1-2H3;2*1H
InChIKeyLQHXVIMEFOGXLV-UHFFFAOYSA-N
XLogP1.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride (CID 71743448) is 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride is CC1(C)NCc2cncnc21.Cl.Cl.
What is the InChIKey of 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride?
The InChIKey is LQHXVIMEFOGXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2ClH/c1-8(2)7-6(4-11-8)3-9-5-10-7;;/h3,5,11H,4H2,1-2H3;2*1H.
What are the key properties of 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride?
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 71743448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).