5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one

C6H5Cl2N3O — CID 154961883

IUPAC5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one
SMILESC=C(Cl)c1nc(Cl)[nH]c(=O)c1N
InChIInChI=1S/C6H5Cl2N3O/c1-2(7)4-3(9)5(12)11-6(8)10-4/h1,9H2,(H,10,11,12)
InChIKeyLDDTZWWFOSKFTP-UHFFFAOYSA-N
MW206.03 g/mol
LogP1.22
Rot. Bonds1

About 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one

5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one (PubChem CID 154961883) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one
PubChem CID154961883
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC Name5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one
SMILESC=C(Cl)c1nc(Cl)[nH]c(=O)c1N
InChIInChI=1S/C6H5Cl2N3O/c1-2(7)4-3(9)5(12)11-6(8)10-4/h1,9H2,(H,10,11,12)
InChIKeyLDDTZWWFOSKFTP-UHFFFAOYSA-N
XLogP1.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one (CID 154961883) is 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one is C=C(Cl)c1nc(Cl)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one?
The InChIKey is LDDTZWWFOSKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c1-2(7)4-3(9)5(12)11-6(8)10-4/h1,9H2,(H,10,11,12).
What are the key properties of 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one?
5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one has a molecular weight of 206.03 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-(1-chloroethenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).