[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol

C16H19ClN2O2 — CID 80973268

IUPAC[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Oc1ccccc1CO
InChIInChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-8-6-5-7-11(12)9-20/h5-8,20H,9H2,1-4H3
InChIKeyKMDKHDZBJRXDGG-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.02
Rot. Bonds3

About [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol

[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80973268) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80973268
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Oc1ccccc1CO
InChIInChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-8-6-5-7-11(12)9-20/h5-8,20H,9H2,1-4H3
InChIKeyKMDKHDZBJRXDGG-UHFFFAOYSA-N
XLogP4.02
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol (CID 80973268) is [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol is Cc1c(Cl)nc(C(C)(C)C)nc1Oc1ccccc1CO.
What is the InChIKey of [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is KMDKHDZBJRXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-13(17)18-15(16(2,3)4)19-14(10)21-12-8-6-5-7-11(12)9-20/h5-8,20H,9H2,1-4H3.
What are the key properties of [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 306.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80973268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).