5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine

C14H10BrN3O — CID 80869770

IUPAC5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H10BrN3O/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18)
InChIKeyDSYLYTRLAJCWRP-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.77
Rot. Bonds2

About 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine

5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine (PubChem CID 80869770) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
PubChem CID80869770
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H10BrN3O/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18)
InChIKeyDSYLYTRLAJCWRP-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
CID 80882067
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
2-[4-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80864617
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 22543737
6-methyl-2-naphthalen-2-yloxypyridin-3-amine
CID 81131887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine (CID 80869770) is 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine is Nc1ncc(Br)c(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine?
The InChIKey is DSYLYTRLAJCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18).
What are the key properties of 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine?
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine has a molecular weight of 316.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 80869770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).