[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol

C16H13BrN2O2 — CID 83179440

IUPAC[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2ccc3cc(Br)ccc3c2)ncc1CO
InChIInChI=1S/C16H13BrN2O2/c1-10-13(9-20)8-18-16(19-10)21-15-5-3-11-6-14(17)4-2-12(11)7-15/h2-8,20H,9H2,1H3
InChIKeyZTORBSWAKWRPDO-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.99
Rot. Bonds3

About [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol

[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol (PubChem CID 83179440) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol
PubChem CID83179440
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2ccc3cc(Br)ccc3c2)ncc1CO
InChIInChI=1S/C16H13BrN2O2/c1-10-13(9-20)8-18-16(19-10)21-15-5-3-11-6-14(17)4-2-12(11)7-15/h2-8,20H,9H2,1H3
InChIKeyZTORBSWAKWRPDO-UHFFFAOYSA-N
XLogP3.99
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
CID 83184999
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 107660009
[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol
CID 143801286
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
[2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidin-5-yl]methanol
CID 83183786
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
CID 83184389
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
(4-methyl-2-quinolin-5-yloxypyrimidin-5-yl)methanol
CID 103045423

Frequently Asked Questions

What is the IUPAC name of [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol (CID 83179440) is [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol is Cc1nc(Oc2ccc3cc(Br)ccc3c2)ncc1CO.
What is the InChIKey of [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol?
The InChIKey is ZTORBSWAKWRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-13(9-20)8-18-16(19-10)21-15-5-3-11-6-14(17)4-2-12(11)7-15/h2-8,20H,9H2,1H3.
What are the key properties of [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol?
[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol has a molecular weight of 345.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83179440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).