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

C11H8Cl2N2O2 — CID 114676044

IUPAC5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cc(Cl)ccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)2-3-8(6)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyASYMMRSJPWQCQV-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.18
Rot. Bonds2

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

5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 114676044) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID114676044
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cc(Cl)ccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)2-3-8(6)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyASYMMRSJPWQCQV-UHFFFAOYSA-N
XLogP3.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
4-[5-(aminomethyl)-2-methylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 107657400
5-chloro-4-(4-chloronaphthalen-1-yl)oxy-1H-pyrimidin-6-one
CID 114676250
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585927
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 114585959
5-chloro-4-(2-methoxy-5-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676324
5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 114676420
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one (CID 114676044) is 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one is Cc1cc(Cl)ccc1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is ASYMMRSJPWQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-4-7(12)2-3-8(6)17-11-9(13)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one?
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 271.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).