benzene;ethane;methane;pyridine;pyrimidine

C28H55N3 — CID 158253499

IUPACbenzene;ethane;methane;pyridine;pyrimidine
SMILESC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1cncnc1
InChIInChI=1S/C6H6.C5H5N.C4H4N2.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6*1-2;/h1-6H;1-5H;1-4H;6*1-2H3;1H4
InChIKeyGGZPAFFLTQINBV-UHFFFAOYSA-N
MW433.77 g/mol
LogP10.04
Rot. Bonds

About benzene;ethane;methane;pyridine;pyrimidine

benzene;ethane;methane;pyridine;pyrimidine (PubChem CID 158253499) has the molecular formula C28H55N3 and a molecular weight of 433.77 g/mol. Its IUPAC name is benzene;ethane;methane;pyridine;pyrimidine.

Molecular Properties

Compound Namebenzene;ethane;methane;pyridine;pyrimidine
PubChem CID158253499
Molecular FormulaC28H55N3
Molecular Weight433.77 g/mol
Exact Mass433.44
IUPAC Namebenzene;ethane;methane;pyridine;pyrimidine
SMILESC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1cncnc1
InChIInChI=1S/C6H6.C5H5N.C4H4N2.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6*1-2;/h1-6H;1-5H;1-4H;6*1-2H3;1H4
InChIKeyGGZPAFFLTQINBV-UHFFFAOYSA-N
XLogP10.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
CID 158907010
ethane;methane;pyridine
CID 159650211
pyrazine;pyridine;pyrimidine
CID 19013313
ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
CID 91266138
CID 91266138
ethane;methanamine;pyridine
CID 90762425
benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
pyridine
CID 67755510

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methane;pyridine;pyrimidine?
The IUPAC name of benzene;ethane;methane;pyridine;pyrimidine (CID 158253499) is benzene;ethane;methane;pyridine;pyrimidine.
What is the SMILES notation for benzene;ethane;methane;pyridine;pyrimidine?
The canonical SMILES for benzene;ethane;methane;pyridine;pyrimidine is C.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1cncnc1.
What is the InChIKey of benzene;ethane;methane;pyridine;pyrimidine?
The InChIKey is GGZPAFFLTQINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H4N2.6C2H6.CH4/c2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;6*1-2;/h1-6H;1-5H;1-4H;6*1-2H3;1H4.
What are the key properties of benzene;ethane;methane;pyridine;pyrimidine?
benzene;ethane;methane;pyridine;pyrimidine has a molecular weight of 433.77 g/mol, XLogP of 10.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;pyridine;pyrimidine is sourced from PubChem (CID 158253499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).