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

C16H14BrN3O — CID 80865760

IUPAC4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H14BrN3O/c1-10-7-15(20-16(18-2)19-10)21-14-6-4-11-8-13(17)5-3-12(11)9-14/h3-9H,1-2H3,(H,18,19,20)
InChIKeyGBYRYAFTCRRBOQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.53
Rot. Bonds3

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

4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 80865760) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
PubChem CID80865760
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H14BrN3O/c1-10-7-15(20-16(18-2)19-10)21-14-6-4-11-8-13(17)5-3-12(11)9-14/h3-9H,1-2H3,(H,18,19,20)
InChIKeyGBYRYAFTCRRBOQ-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

4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80864197
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 80882151
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875932
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
N,4-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342537

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine (CID 80865760) is 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is GBYRYAFTCRRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-7-15(20-16(18-2)19-10)21-14-6-4-11-8-13(17)5-3-12(11)9-14/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine?
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-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 4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80865760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).