2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine

C43H51N13 — CID 157160656

IUPAC2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncccn1
InChIInChI=1S/3C6H7N.5C5H6N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;2*1-5-6-3-2-4-7-5/h3*2-5H,1H3;5*2-4H,1H3
InChIKeyAMIHVKFCPMLXOT-UHFFFAOYSA-N
MW749.97 g/mol
LogP8.10
Rot. Bonds

About 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine

2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine (PubChem CID 157160656) has the molecular formula C43H51N13 and a molecular weight of 749.97 g/mol. Its IUPAC name is 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine.

Molecular Properties

Compound Name2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine
PubChem CID157160656
Molecular FormulaC43H51N13
Molecular Weight749.97 g/mol
Exact Mass749.44
IUPAC Name2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncccn1
InChIInChI=1S/3C6H7N.5C5H6N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;2*1-5-6-3-2-4-7-5/h3*2-5H,1H3;5*2-4H,1H3
InChIKeyAMIHVKFCPMLXOT-UHFFFAOYSA-N
XLogP8.10
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.97
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine with MolForge

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
example 320 [WO2018198077A2]
CID 135390649
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
N-[5-(4-aminopiperidin-1-yl)-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654463
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-ylquinazoline
CID 872357

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine?
The IUPAC name of 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine (CID 157160656) is 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine.
What is the SMILES notation for 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine?
The canonical SMILES for 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncccn1.
What is the InChIKey of 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine?
The InChIKey is AMIHVKFCPMLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.5C5H6N2/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;2*1-5-6-3-2-4-7-5/h3*2-5H,1H3;5*2-4H,1H3.
What are the key properties of 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine?
2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine has a molecular weight of 749.97 g/mol, XLogP of 8.10, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;5-methylpyrimidine is sourced from PubChem (CID 157160656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).