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

C14H14Cl2N2O2 — CID 62087969

IUPAC[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cc(Cl)cc(Cl)c2)c(CO)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)14-17-6-13(12(7-19)18-14)20-11-4-9(15)3-10(16)5-11/h3-6,8,19H,7H2,1-2H3
InChIKeyOZZMIBYMMDNVEM-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.19
Rot. Bonds4

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

[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62087969) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62087969
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cc(Cl)cc(Cl)c2)c(CO)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)14-17-6-13(12(7-19)18-14)20-11-4-9(15)3-10(16)5-11/h3-6,8,19H,7H2,1-2H3
InChIKeyOZZMIBYMMDNVEM-UHFFFAOYSA-N
XLogP4.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol with MolForge

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Related Compounds

4-(chloromethyl)-5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 62088348
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087795
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
CID 116802655
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
CID 62087433

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62087969) is [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(Oc2cc(Cl)cc(Cl)c2)c(CO)n1.
What is the InChIKey of [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is OZZMIBYMMDNVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8(2)14-17-6-13(12(7-19)18-14)20-11-4-9(15)3-10(16)5-11/h3-6,8,19H,7H2,1-2H3.
What are the key properties of [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 313.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62087969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).