2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one

C8H11N3O2 — CID 137265500

IUPAC2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C8H11N3O2/c1-8(2)5-4(3-13-8)10-7(9)11-6(5)12/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyIOJJENUYLUBAJC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.12
Rot. Bonds

About 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one

2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one (PubChem CID 137265500) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
PubChem CID137265500
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
SMILESCC1(C)OCc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C8H11N3O2/c1-8(2)5-4(3-13-8)10-7(9)11-6(5)12/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyIOJJENUYLUBAJC-UHFFFAOYSA-N
XLogP0.12
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-Methyl-5,7-dihydrofuro[3,4-D]pyrimidin-4(3H)-one
CID 135741900
2,5,7-trimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442752
2-Amino-7-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144006222
2-amino-7,7-dimethyl-5,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4-one
CID 144006228
2-Chloro-7,7-dimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576423
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
5,5-Dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137262486
2-Ethyl-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one
CID 137272882
2-amino-5-methyl-5H,7H-furo[3,4-d]pyrimidin-4-ol
CID 165525688

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one (CID 137265500) is 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one is CC1(C)OCc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
The InChIKey is IOJJENUYLUBAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(2)5-4(3-13-8)10-7(9)11-6(5)12/h3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one?
2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethyl-3,7-dihydrofuro[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137265500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).