ethane;bis(4-methylpyridine);4-methylpyrimidine

C23H38N4 — CID 143707387

IUPACethane;bis(4-methylpyridine);4-methylpyrimidine
SMILESCC.CC.CC.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1
InChIInChI=1S/2C6H7N.C5H6N2.3C2H6/c2*1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3
InChIKeyUYVJRIOSBVSAPR-UHFFFAOYSA-N
MW370.59 g/mol
LogP6.64
Rot. Bonds

About ethane;bis(4-methylpyridine);4-methylpyrimidine

ethane;bis(4-methylpyridine);4-methylpyrimidine (PubChem CID 143707387) has the molecular formula C23H38N4 and a molecular weight of 370.59 g/mol. Its IUPAC name is ethane;bis(4-methylpyridine);4-methylpyrimidine.

Molecular Properties

Compound Nameethane;bis(4-methylpyridine);4-methylpyrimidine
PubChem CID143707387
Molecular FormulaC23H38N4
Molecular Weight370.59 g/mol
Exact Mass370.31
IUPAC Nameethane;bis(4-methylpyridine);4-methylpyrimidine
SMILESCC.CC.CC.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1
InChIInChI=1S/2C6H7N.C5H6N2.3C2H6/c2*1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3
InChIKeyUYVJRIOSBVSAPR-UHFFFAOYSA-N
XLogP6.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
hydron;4-methylpyrimidine
CID 174915530
ethane;4-methylpyridine
CID 54305436
4-methylpyrimidine;1,1,1-trifluoroethane
CID 143795671
tetrakis(4-methylpyridine);nickel
CID 160730254
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
deuterium monohydride;4-methylpyridine
CID 175130450
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616

Frequently Asked Questions

What is the IUPAC name of ethane;bis(4-methylpyridine);4-methylpyrimidine?
The IUPAC name of ethane;bis(4-methylpyridine);4-methylpyrimidine (CID 143707387) is ethane;bis(4-methylpyridine);4-methylpyrimidine.
What is the SMILES notation for ethane;bis(4-methylpyridine);4-methylpyrimidine?
The canonical SMILES for ethane;bis(4-methylpyridine);4-methylpyrimidine is CC.CC.CC.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.
What is the InChIKey of ethane;bis(4-methylpyridine);4-methylpyrimidine?
The InChIKey is UYVJRIOSBVSAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H6N2.3C2H6/c2*1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3.
What are the key properties of ethane;bis(4-methylpyridine);4-methylpyrimidine?
ethane;bis(4-methylpyridine);4-methylpyrimidine has a molecular weight of 370.59 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(4-methylpyridine);4-methylpyrimidine is sourced from PubChem (CID 143707387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).