2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C7H8N4O — CID 135520243

IUPAC2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12)
InChIKeyAYVRAXSWHNOEEQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.14
Rot. Bonds

About 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135520243) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135520243
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12)
InChIKeyAYVRAXSWHNOEEQ-UHFFFAOYSA-N
XLogP0.14
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135520243) is 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1c[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is AYVRAXSWHNOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-2-9-5-4(3)6(12)11-7(8)10-5/h2H,1H3,(H4,8,9,10,11,12).
What are the key properties of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 164.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135520243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).