5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione

C10H7Cl2N3O2 — CID 17275056

IUPAC5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)14-8-4-13-10(17)15-9(8)16/h1-4,14H,(H2,13,15,16,17)
InChIKeyFMZGDEZMHNVEGK-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.11
Rot. Bonds2

About 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione

5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione (PubChem CID 17275056) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
PubChem CID17275056
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)14-8-4-13-10(17)15-9(8)16/h1-4,14H,(H2,13,15,16,17)
InChIKeyFMZGDEZMHNVEGK-UHFFFAOYSA-N
XLogP2.11
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 167810356
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 162391536
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
CID 114991830
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-(4-methylanilino)-2-sulfanylidene-1H-pyrimidin-4-one
CID 121006196
1-N-(3,4-dichlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448039
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
2-(3,4-dichloroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612058

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione (CID 17275056) is 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is FMZGDEZMHNVEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-2-1-5(3-7(6)12)14-8-4-13-10(17)15-9(8)16/h1-4,14H,(H2,13,15,16,17).
What are the key properties of 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione?
5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 272.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 17275056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).