2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one

C9H11N3O2 — CID 585194

IUPAC2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one
SMILESCC1(C)Cc2nc(N)ncc2C(=O)O1
InChIInChI=1S/C9H11N3O2/c1-9(2)3-6-5(7(13)14-9)4-11-8(10)12-6/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBWFXBIZDZMOXJA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.55
Rot. Bonds

About 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one

2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one (PubChem CID 585194) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one
PubChem CID585194
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one
SMILESCC1(C)Cc2nc(N)ncc2C(=O)O1
InChIInChI=1S/C9H11N3O2/c1-9(2)3-6-5(7(13)14-9)4-11-8(10)12-6/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBWFXBIZDZMOXJA-UHFFFAOYSA-N
XLogP0.55
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one (CID 585194) is 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one is CC1(C)Cc2nc(N)ncc2C(=O)O1.
What is the InChIKey of 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one?
The InChIKey is BWFXBIZDZMOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-9(2)3-6-5(7(13)14-9)4-11-8(10)12-6/h4H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one?
2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one has a molecular weight of 193.21 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-8H-pyrano[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 585194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).