6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C14H15BrN4O — CID 80990278

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cncc(Br)c2)c1C
InChIInChI=1S/C14H15BrN4O/c1-8-12(16-2)18-13(9-3-4-9)19-14(8)20-11-5-10(15)6-17-7-11/h5-7,9H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyJBKPVQMEASYKSH-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.65
Rot. Bonds4

About 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80990278) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80990278
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cncc(Br)c2)c1C
InChIInChI=1S/C14H15BrN4O/c1-8-12(16-2)18-13(9-3-4-9)19-14(8)20-11-5-10(15)6-17-7-11/h5-7,9H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyJBKPVQMEASYKSH-UHFFFAOYSA-N
XLogP3.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988395
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80877684
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80876756

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 80990278) is 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(Oc2cncc(Br)c2)c1C.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JBKPVQMEASYKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8-12(16-2)18-13(9-3-4-9)19-14(8)20-11-5-10(15)6-17-7-11/h5-7,9H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 335.21 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80990278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).