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

C13H15BrN4O — CID 80876304

IUPAC6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cncc(Br)c2)c1C(C)C
InChIInChI=1S/C13H15BrN4O/c1-8(2)11-12(15-3)17-7-18-13(11)19-10-4-9(14)5-16-6-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyQPUKFOCBBYATPY-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.59
Rot. Bonds4

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

6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80876304) 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-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80876304
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cncc(Br)c2)c1C(C)C
InChIInChI=1S/C13H15BrN4O/c1-8(2)11-12(15-3)17-7-18-13(11)19-10-4-9(14)5-16-6-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyQPUKFOCBBYATPY-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

7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 24229635
7-bromo-2,2-dimethyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 59277579
5-Ethyl-N-[2-(pyridin-3-yloxy)propyl]pyrimidin-2-amine
CID 72937788
5-[5-Propan-2-yl-2-(2,2,2-trifluoroethylamino)pyridin-4-yl]oxypyrimidine-2,4-diamine
CID 147172849
7-bromo-2-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 83823744
5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
CID 71874714
6-isopropyl-N~4~-[3-(pyridin-3-yloxy)propyl]pyrimidine-2,4-diamine
CID 72849048
5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine
CID 97147149
4-[(3S)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-6-methylpyrimidine
CID 125424026
3-Bromo-5-[(5-fluoro-3-pyridinyl)oxy]pyridin-2-amine
CID 118103855
N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
CID 118103858
N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
CID 123213449

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80876304) is 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Oc2cncc(Br)c2)c1C(C)C.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QPUKFOCBBYATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8(2)11-12(15-3)17-7-18-13(11)19-10-4-9(14)5-16-6-10/h4-8H,1-3H3,(H,15,17,18).
What are the key properties of 6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-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-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80876304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).