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

C6H6N4O — CID 135998933

IUPAC4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESNc1[nH]c(=O)nc2[nH]ccc12
InChIInChI=1S/C6H6N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2H,(H4,7,8,9,10,11)
InChIKeyIJOIJRLXVJYPIF-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.17
Rot. Bonds

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

4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 135998933) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID135998933
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESNc1[nH]c(=O)nc2[nH]ccc12
InChIInChI=1S/C6H6N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2H,(H4,7,8,9,10,11)
InChIKeyIJOIJRLXVJYPIF-UHFFFAOYSA-N
XLogP-0.17
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (CID 135998933) is 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is Nc1[nH]c(=O)nc2[nH]ccc12.
What is the InChIKey of 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is IJOIJRLXVJYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2H,(H4,7,8,9,10,11).
What are the key properties of 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 150.14 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 135998933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).