5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine

C8H11N3O — CID 130618597

IUPAC5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2ncnc(N)c21
InChIInChI=1S/C8H11N3O/c1-8(2)6-5(3-12-8)10-4-11-7(6)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyBNUJINJXIISBKC-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.82
Rot. Bonds

About 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine

5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 130618597) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine
PubChem CID130618597
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2ncnc(N)c21
InChIInChI=1S/C8H11N3O/c1-8(2)6-5(3-12-8)10-4-11-7(6)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyBNUJINJXIISBKC-UHFFFAOYSA-N
XLogP0.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine (CID 130618597) is 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2ncnc(N)c21.
What is the InChIKey of 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is BNUJINJXIISBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-8(2)6-5(3-12-8)10-4-11-7(6)9/h4H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine?
5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 165.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-7H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130618597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).