6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione

C10H8ClN3O2 — CID 702879

IUPAC6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16)
InChIKeyUUADWYZGUGMKLK-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.76
Rot. Bonds1

About 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione

6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 702879) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID702879
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16)
InChIKeyUUADWYZGUGMKLK-UHFFFAOYSA-N
XLogP0.76
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 702879) is 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is UUADWYZGUGMKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16).
What are the key properties of 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione?
6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 237.65 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 702879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).