2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

C7H8N4O — CID 135985407

IUPAC2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H8N4O/c1-3-2-9-5-4(3)10-7(8)11-6(5)12/h2-3H,1H3,(H3,8,10,11,12)
InChIKeyQHEZCIZVXFIZKD-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.17
Rot. Bonds

About 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135985407) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135985407
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC1C=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H8N4O/c1-3-2-9-5-4(3)10-7(8)11-6(5)12/h2-3H,1H3,(H3,8,10,11,12)
InChIKeyQHEZCIZVXFIZKD-UHFFFAOYSA-N
XLogP0.17
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135985407) is 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is CC1C=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is QHEZCIZVXFIZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)10-7(8)11-6(5)12/h2-3H,1H3,(H3,8,10,11,12).
What are the key properties of 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 164.17 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135985407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).