4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine

C16H13BrN4O — CID 133476896

IUPAC4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(Oc2ccc(C)nc2Br)nc(-c2cccnc2)n1
InChIInChI=1S/C16H13BrN4O/c1-10-5-6-13(15(17)19-10)22-14-8-11(2)20-16(21-14)12-4-3-7-18-9-12/h3-9H,1-2H3
InChIKeyQITQSRVHLHKPPT-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.11
Rot. Bonds3

About 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine

4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine (PubChem CID 133476896) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine
PubChem CID133476896
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(Oc2ccc(C)nc2Br)nc(-c2cccnc2)n1
InChIInChI=1S/C16H13BrN4O/c1-10-5-6-13(15(17)19-10)22-14-8-11(2)20-16(21-14)12-4-3-7-18-9-12/h3-9H,1-2H3
InChIKeyQITQSRVHLHKPPT-UHFFFAOYSA-N
XLogP4.11
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile
CID 154859866
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 133376836
4-[(3-bromo-4-methoxyphenyl)methyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 35399696
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 59340680
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018
6-methyl-2,3-dipyridin-3-ylpyridine
CID 46316604

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine (CID 133476896) is 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine is Cc1cc(Oc2ccc(C)nc2Br)nc(-c2cccnc2)n1.
What is the InChIKey of 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine?
The InChIKey is QITQSRVHLHKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c1-10-5-6-13(15(17)19-10)22-14-8-11(2)20-16(21-14)12-4-3-7-18-9-12/h3-9H,1-2H3.
What are the key properties of 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine?
4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine has a molecular weight of 357.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133476896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).