6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine

C16H14BrN3O — CID 80866646

IUPAC6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc3ccccc3c2Br)nc(C)n1
InChIInChI=1S/C16H14BrN3O/c1-10-19-14(18-2)9-15(20-10)21-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyOAXWBLGKQVEJAC-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.53
Rot. Bonds3

About 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine

6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 80866646) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
PubChem CID80866646
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc3ccccc3c2Br)nc(C)n1
InChIInChI=1S/C16H14BrN3O/c1-10-19-14(18-2)9-15(20-10)21-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyOAXWBLGKQVEJAC-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80863011
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
CID 61268643
N,2-dimethyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315911
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine (CID 80866646) is 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2ccc3ccccc3c2Br)nc(C)n1.
What is the InChIKey of 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is OAXWBLGKQVEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-19-14(18-2)9-15(20-10)21-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine?
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 344.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80866646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).