tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine

C34H58N6 — CID 169425697

IUPACtetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1
InChIInChI=1S/2C5H5N.2C4H4N2.4C4H10/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-4(2)3/h2*1-5H;2*1-4H;4*4H,1-3H3
InChIKeyHJYFTEWEKTUYTM-UHFFFAOYSA-N
MW550.88 g/mol
LogP9.77
Rot. Bonds

About tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine

tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine (PubChem CID 169425697) has the molecular formula C34H58N6 and a molecular weight of 550.88 g/mol. Its IUPAC name is tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine.

Molecular Properties

Compound Nametetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
PubChem CID169425697
Molecular FormulaC34H58N6
Molecular Weight550.88 g/mol
Exact Mass550.47
IUPAC Nametetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1
InChIInChI=1S/2C5H5N.2C4H4N2.4C4H10/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-4(2)3/h2*1-5H;2*1-4H;4*4H,1-3H3
InChIKeyHJYFTEWEKTUYTM-UHFFFAOYSA-N
XLogP9.77
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.88
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
CID 158907010
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pyrazine;pyridine;pyrimidine
CID 19013313
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
pyrazine;bis(pyridine)
CID 159366306
tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
CID 158173067
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine?
The IUPAC name of tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine (CID 169425697) is tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine.
What is the SMILES notation for tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine?
The canonical SMILES for tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1ccncc1.c1cnccn1.c1cncnc1.
What is the InChIKey of tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine?
The InChIKey is HJYFTEWEKTUYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.4C4H10/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-4(2)3/h2*1-5H;2*1-4H;4*4H,1-3H3.
What are the key properties of tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine?
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine has a molecular weight of 550.88 g/mol, XLogP of 9.77, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine is sourced from PubChem (CID 169425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).