[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

C12H10Cl2N2O2 — CID 83184383

IUPAC[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cccc(Cl)c2Cl)ncc1CO
InChIInChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5,17H,6H2,1H3
InChIKeyPPLVWDWYRZSBKY-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.38
Rot. Bonds3

About [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184383) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184383
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cccc(Cl)c2Cl)ncc1CO
InChIInChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5,17H,6H2,1H3
InChIKeyPPLVWDWYRZSBKY-UHFFFAOYSA-N
XLogP3.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
(4-methyl-2-quinolin-5-yloxypyrimidin-5-yl)methanol
CID 103045423
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
CID 83184999
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
5-bromo-2-(2,3-dichlorophenoxy)pyrimidine
CID 13336590
4-(chloromethyl)-1-(2,3-dichlorophenoxy)isoquinoline
CID 106769460
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
CID 83184389

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (CID 83184383) is [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is Cc1nc(Oc2cccc(Cl)c2Cl)ncc1CO.
What is the InChIKey of [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is PPLVWDWYRZSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-8(6-17)5-15-12(16-7)18-10-4-2-3-9(13)11(10)14/h2-5,17H,6H2,1H3.
What are the key properties of [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 285.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).