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

C6H4ClN3O — CID 135905388

IUPAC2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2[nH]ccc12
InChIInChI=1S/C6H4ClN3O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H2,8,9,10,11)
InChIKeyDQKDBKDYZLIMRK-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.90
Rot. Bonds

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

2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135905388) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135905388
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2[nH]ccc12
InChIInChI=1S/C6H4ClN3O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H2,8,9,10,11)
InChIKeyDQKDBKDYZLIMRK-UHFFFAOYSA-N
XLogP0.90
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-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 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135905388) is 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2[nH]ccc12.
What is the InChIKey of 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is DQKDBKDYZLIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H2,8,9,10,11).
What are the key properties of 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 169.57 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135905388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).