1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea

C11H8Cl2N4O3 — CID 27102156

IUPAC1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N4O3/c12-6-2-1-5(3-7(6)13)14-10(19)15-8-4-9(18)17-11(20)16-8/h1-4H,(H4,14,15,16,17,18,19,20)
InChIKeyXDWYSVVCDGWGKY-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.01
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea

1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea (PubChem CID 27102156) has the molecular formula C11H8Cl2N4O3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
PubChem CID27102156
Molecular FormulaC11H8Cl2N4O3
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N4O3/c12-6-2-1-5(3-7(6)13)14-10(19)15-8-4-9(18)17-11(20)16-8/h1-4H,(H4,14,15,16,17,18,19,20)
InChIKeyXDWYSVVCDGWGKY-UHFFFAOYSA-N
XLogP2.01
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
CID 65431622
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea (CID 27102156) is 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea?
The InChIKey is XDWYSVVCDGWGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3/c12-6-2-1-5(3-7(6)13)14-10(19)15-8-4-9(18)17-11(20)16-8/h1-4H,(H4,14,15,16,17,18,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea?
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea has a molecular weight of 315.12 g/mol, XLogP of 2.01, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea is sourced from PubChem (CID 27102156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).