5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

C11H9Cl2N3O2 — CID 63799374

IUPAC5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyIXGLJWWXMIMKDC-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.47
Rot. Bonds2

About 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 63799374) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID63799374
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18)
InChIKeyIXGLJWWXMIMKDC-UHFFFAOYSA-N
XLogP1.47
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (CID 63799374) is 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is Nc1cn(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is IXGLJWWXMIMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)4-16-5-9(14)10(17)15-11(16)18/h1-3,5H,4,14H2,(H,15,17,18).
What are the key properties of 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 286.12 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63799374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).