methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine

C18H27N5 — CID 158219672

IUPACmethane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
SMILESC.C.Cc1ccccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C6H7N.2C5H6N2.2CH4/c1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-6-3-2-4-7-5;;/h2-5H,1H3;2*2-4H,1H3;2*1H4
InChIKeyGDBZQXDTPTVDAF-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.23
Rot. Bonds

About methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine

methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine (PubChem CID 158219672) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine.

Molecular Properties

Compound Namemethane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
PubChem CID158219672
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Namemethane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
SMILESC.C.Cc1ccccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C6H7N.2C5H6N2.2CH4/c1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-6-3-2-4-7-5;;/h2-5H,1H3;2*2-4H,1H3;2*1H4
InChIKeyGDBZQXDTPTVDAF-UHFFFAOYSA-N
XLogP4.23
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine?
The IUPAC name of methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine (CID 158219672) is methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine.
What is the SMILES notation for methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine?
The canonical SMILES for methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine is C.C.Cc1ccccn1.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine?
The InChIKey is GDBZQXDTPTVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C5H6N2.2CH4/c1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-6-3-2-4-7-5;;/h2-5H,1H3;2*2-4H,1H3;2*1H4.
What are the key properties of methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine?
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine has a molecular weight of 313.45 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine is sourced from PubChem (CID 158219672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).