2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C13H9Cl3N4O — CID 162767109

IUPAC2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(Cl)c2c(n1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C2
InChIInChI=1S/C13H9Cl3N4O/c14-8-2-1-6(3-9(8)15)5-20-10(21)4-7-11(16)18-13(17)19-12(7)20/h1-3H,4-5H2,(H2,17,18,19)
InChIKeyVPULZPFYNNWXPO-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.11
Rot. Bonds2

About 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 162767109) has the molecular formula C13H9Cl3N4O and a molecular weight of 343.60 g/mol. Its IUPAC name is 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID162767109
Molecular FormulaC13H9Cl3N4O
Molecular Weight343.60 g/mol
Exact Mass341.98
IUPAC Name2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(Cl)c2c(n1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C2
InChIInChI=1S/C13H9Cl3N4O/c14-8-2-1-6(3-9(8)15)5-20-10(21)4-7-11(16)18-13(17)19-12(7)20/h1-3H,4-5H2,(H2,17,18,19)
InChIKeyVPULZPFYNNWXPO-UHFFFAOYSA-N
XLogP3.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-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-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 162767109) is 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(Cl)c2c(n1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C2.
What is the InChIKey of 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VPULZPFYNNWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4O/c14-8-2-1-6(3-9(8)15)5-20-10(21)4-7-11(16)18-13(17)19-12(7)20/h1-3H,4-5H2,(H2,17,18,19).
What are the key properties of 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 343.60 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-7-[(3,4-dichlorophenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 162767109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).