3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol

C11H8Cl2N2O — CID 63613324

IUPAC3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
SMILESCc1c(Cl)nc(-c2cccc(O)c2)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyTXLLOHKGYQXFPE-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds1

About 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol

3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol (PubChem CID 63613324) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
PubChem CID63613324
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
SMILESCc1c(Cl)nc(-c2cccc(O)c2)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyTXLLOHKGYQXFPE-UHFFFAOYSA-N
XLogP3.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)phenol
CID 66311878
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
3-(5-chloro-1H-1,2,4-triazol-3-yl)phenol
CID 84666531
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
methyl 2-[4-chloro-2-(3-hydroxyphenyl)pyrimidin-5-yl]acetate
CID 117225365
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
3-(3-chlorophenyl)phenol;ethane
CID 142088616
4,6-dichloro-5-methyl-2-pyridin-4-ylpyrimidine
CID 63612812
3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
CID 139763910

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol (CID 63613324) is 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol is Cc1c(Cl)nc(-c2cccc(O)c2)nc1Cl.
What is the InChIKey of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The InChIKey is TXLLOHKGYQXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3.
What are the key properties of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol has a molecular weight of 255.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 63613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).