5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C9H12N4O — CID 135403632

IUPAC5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C9H12N4O/c1-13(2)4-6-3-10-8-7(6)9(14)12-5-11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,14)
InChIKeyFSNZECMQDRKXMJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.31
Rot. Bonds2

About 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135403632) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135403632
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C9H12N4O/c1-13(2)4-6-3-10-8-7(6)9(14)12-5-11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,14)
InChIKeyFSNZECMQDRKXMJ-UHFFFAOYSA-N
XLogP0.31
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135403632) is 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CN(C)Cc1c[nH]c2nc[nH]c(=O)c12.
What is the InChIKey of 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FSNZECMQDRKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13(2)4-6-3-10-8-7(6)9(14)12-5-11-8/h3,5H,4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135403632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).