2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine

C53H65N15S2 — CID 158773741

IUPAC2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1ccncn1.Cc1cncc(C)c1.Cc1cncnc1.Cc1cncs1.Cc1ncccn1.Cc1nccs1.Cc1ncncn1
InChIInChI=1S/2C7H9N.2C6H7N.3C5H6N2.C4H5N3.2C4H5NS/c1-6-3-7(2)5-8-4-6;1-6-4-3-5-8-7(6)2;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2*2-3H,1H3
InChIKeyIQFAQFQIQZDMGY-UHFFFAOYSA-N
MW976.34 g/mol
LogP11.62
Rot. Bonds

About 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine

2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine (PubChem CID 158773741) has the molecular formula C53H65N15S2 and a molecular weight of 976.34 g/mol. Its IUPAC name is 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine
PubChem CID158773741
Molecular FormulaC53H65N15S2
Molecular Weight976.34 g/mol
Exact Mass975.50
IUPAC Name2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1ccncn1.Cc1cncc(C)c1.Cc1cncnc1.Cc1cncs1.Cc1ncccn1.Cc1nccs1.Cc1ncncn1
InChIInChI=1S/2C7H9N.2C6H7N.3C5H6N2.C4H5N3.2C4H5NS/c1-6-3-7(2)5-8-4-6;1-6-4-3-5-8-7(6)2;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2*2-3H,1H3
InChIKeyIQFAQFQIQZDMGY-UHFFFAOYSA-N
XLogP11.62
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.34
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522219
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522311
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522312
2-(2-Piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 44522323
N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522324
5-(2-Phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 162675287
4-(2-Phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 59252432
4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522217
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522321
5-Methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
4-Pyridin-3-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145970456
2-methylsulfanyl-N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
CID 155567089

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine?
The IUPAC name of 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine (CID 158773741) is 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine.
What is the SMILES notation for 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine?
The canonical SMILES for 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine is Cc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1ccncn1.Cc1cncc(C)c1.Cc1cncnc1.Cc1cncs1.Cc1ncccn1.Cc1nccs1.Cc1ncncn1.
What is the InChIKey of 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine?
The InChIKey is IQFAQFQIQZDMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.2C6H7N.3C5H6N2.C4H5N3.2C4H5NS/c1-6-3-7(2)5-8-4-6;1-6-4-3-5-8-7(6)2;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4/h2*3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2*2-3H,1H3.
What are the key properties of 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine?
2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine has a molecular weight of 976.34 g/mol, XLogP of 11.62, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methyl-1,3,5-triazine is sourced from PubChem (CID 158773741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).