5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine

C65H89BrN10O — CID 158835291

IUPAC5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine
SMILESCC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)cn1
InChIInChI=1S/2C10H12N2.C10H15NO.C9H12BrN.2C9H13N.C8H12N2/c1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyIXOBYDDTWQSMDF-UHFFFAOYSA-N
MW1106.40 g/mol
LogP16.56
Rot. Bonds1

About 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine

5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine (PubChem CID 158835291) has the molecular formula C65H89BrN10O and a molecular weight of 1106.40 g/mol. Its IUPAC name is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine
PubChem CID158835291
Molecular FormulaC65H89BrN10O
Molecular Weight1106.40 g/mol
Exact Mass1104.64
IUPAC Name5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine
SMILESCC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)cn1
InChIInChI=1S/2C10H12N2.C10H15NO.C9H12BrN.2C9H13N.C8H12N2/c1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyIXOBYDDTWQSMDF-UHFFFAOYSA-N
XLogP16.56
TPSA159.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.40
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(6-Fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine
CID 138963269
2-[4-[(4-Bromo-2,6-difluorophenoxy)methyl]piperidin-1-yl]-5-[4-[5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2-pyridinyl]butan-2-yl]pyrimidine
CID 91010407
2-Methoxy-5-(4-propan-2-ylphenyl)pyridine;1-phenyl-4-propan-2-ylbenzene;2-phenyl-5-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyrimidine;2-(4-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;4-(4-propan-2-ylphenyl)pyrimidine;5-(4-propan-2-ylphenyl)pyrimidine;1-propan-2-yl-4-[4-(trifluoromethyl)phenyl]benzene
CID 159185776
3-bromo-5-methylpyridine;3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;5-chloro-2,4,6-trimethylpyridine-3-carbonitrile;2,3-dimethylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;2-fluoro-6-methylpyridine;3-fluoro-4-methylpyridine;5-fluoro-2-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine
CID 160797967
1-(5-Bromo-2-pyridinyl)-2,2-dimethyl-1-pyrimidin-5-ylbutan-1-ol;2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-1-ol
CID 161967790
4-[1-(6-Methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 11696673
4-[1-(6-Methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 57794944
4-[1-(2-Methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 57795043
4-[2-(6-Methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-methylsulfanylpyrimidine
CID 67011282
4-[2-(6-Methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 67011586
4-[2-(6-Methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 67011962
4-[2-(2-Methoxy-3-pyridinyl)-2,2-dipyridin-3-ylethyl]pyrimidin-2-amine
CID 67012287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine?
The IUPAC name of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine (CID 158835291) is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine.
What is the SMILES notation for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine?
The canonical SMILES for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine is CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.COc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine?
The InChIKey is IXOBYDDTWQSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.C10H15NO.C9H12BrN.2C9H13N.C8H12N2/c1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7/h2*4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine?
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine has a molecular weight of 1106.40 g/mol, XLogP of 16.56, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;5-tert-butylpyrimidine is sourced from PubChem (CID 158835291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).