4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine

C15H10BrClN2OS — CID 80542273

IUPAC4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H10BrClN2OS/c1-21-15-18-13(17)8-14(19-15)20-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3
InChIKeyNIKAXUXMKIGHPE-UHFFFAOYSA-N
MW381.68 g/mol
LogP5.56
Rot. Bonds3

About 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine

4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine (PubChem CID 80542273) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine
PubChem CID80542273
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C15H10BrClN2OS/c1-21-15-18-13(17)8-14(19-15)20-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3
InChIKeyNIKAXUXMKIGHPE-UHFFFAOYSA-N
XLogP5.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methylsulfanyl-6-(3-nitrophenoxy)pyrimidine
CID 113221050
2-(6-bromonaphthalen-2-yl)oxy-6-chloropyrazine
CID 60707948
4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
CID 113221056
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-methylsulfanylpyrimidine
CID 116801035
4-chloro-6-(4-methoxy-2-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 112724522
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
6-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
CID 19084614
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
4-chloro-6-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 80542312

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine (CID 80542273) is 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine?
The InChIKey is NIKAXUXMKIGHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c1-21-15-18-13(17)8-14(19-15)20-12-5-3-9-6-11(16)4-2-10(9)7-12/h2-8H,1H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine?
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine has a molecular weight of 381.68 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80542273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).