6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine

C13H15BrN4O — CID 80963572

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C13H15BrN4O/c1-8(2)13-17-11(15-3)5-12(18-13)19-10-4-9(14)6-16-7-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyZEGMAZUFMVBQIJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.59
Rot. Bonds4

About 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963572) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963572
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Oc2cncc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C13H15BrN4O/c1-8(2)13-17-11(15-3)5-12(18-13)19-10-4-9(14)6-16-7-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyZEGMAZUFMVBQIJ-UHFFFAOYSA-N
XLogP3.59
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963382
6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80876756
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966343
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
[2-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80962451
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80963572) is 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(Oc2cncc(Br)c2)nc(C(C)C)n1.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZEGMAZUFMVBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8(2)13-17-11(15-3)5-12(18-13)19-10-4-9(14)6-16-7-10/h4-8H,1-3H3,(H,15,17,18).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 323.19 g/mol, XLogP of 3.59, 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]-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).