tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine

C37H65N7 — CID 158173067

IUPACtetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.4C5H12.3C4H4N2/c1-2-4-6-5-3-1;4*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-5H;4*1-4H3;3*1-4H
InChIKeyFXRPLAMGLJISPX-UHFFFAOYSA-N
MW607.98 g/mol
LogP10.72
Rot. Bonds

About tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine

tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine (PubChem CID 158173067) has the molecular formula C37H65N7 and a molecular weight of 607.98 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine.

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
PubChem CID158173067
Molecular FormulaC37H65N7
Molecular Weight607.98 g/mol
Exact Mass607.53
IUPAC Nametetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.4C5H12.3C4H4N2/c1-2-4-6-5-3-1;4*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-5H;4*1-4H3;3*1-4H
InChIKeyFXRPLAMGLJISPX-UHFFFAOYSA-N
XLogP10.72
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.98
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
pyrazine;pyridine;pyrimidine
CID 19013313
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 160967771
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
pyridine;1,2,4-triazine
CID 142352518
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
pyrazine;bis(pyridine)
CID 159366306
2,2-dimethylpropane;pyrazine
CID 143896463

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine?
The IUPAC name of tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine (CID 158173067) is tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine.
What is the SMILES notation for tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine?
The canonical SMILES for tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine?
The InChIKey is FXRPLAMGLJISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.4C5H12.3C4H4N2/c1-2-4-6-5-3-1;4*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-5H;4*1-4H3;3*1-4H.
What are the key properties of tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine?
tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine has a molecular weight of 607.98 g/mol, XLogP of 10.72, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine is sourced from PubChem (CID 158173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).