2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one

C10H6Cl3N3O — CID 155165181

IUPAC2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one
SMILESNc1nc(Cl)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-2-1-3-6(9(5)13)16-8(17)4-7(12)15-10(16)14/h1-4H,(H2,14,15)
InChIKeyRSDHVZNQFZMQAC-UHFFFAOYSA-N
MW290.54 g/mol
LogP2.77
Rot. Bonds1

About 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one

2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one (PubChem CID 155165181) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one
PubChem CID155165181
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC Name2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one
SMILESNc1nc(Cl)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-2-1-3-6(9(5)13)16-8(17)4-7(12)15-10(16)14/h1-4H,(H2,14,15)
InChIKeyRSDHVZNQFZMQAC-UHFFFAOYSA-N
XLogP2.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one (CID 155165181) is 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one is Nc1nc(Cl)cc(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one?
The InChIKey is RSDHVZNQFZMQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-5-2-1-3-6(9(5)13)16-8(17)4-7(12)15-10(16)14/h1-4H,(H2,14,15).
What are the key properties of 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one?
2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one has a molecular weight of 290.54 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one is sourced from PubChem (CID 155165181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).