ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine

C31H69N3 — CID 158907010

IUPACethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
SMILESC.C.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1cncnc1
InChIInChI=1S/C5H5N.C4H4N2.4C4H10.2C2H6.2CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;4*1-4(2)3;2*1-2;;/h1-5H;1-4H;4*4H,1-3H3;2*1-2H3;2*1H4
InChIKeyJGDZFAQHRYUGOG-UHFFFAOYSA-N
MW483.91 g/mol
LogP11.53
Rot. Bonds

About ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine

ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine (PubChem CID 158907010) has the molecular formula C31H69N3 and a molecular weight of 483.91 g/mol. Its IUPAC name is ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine.

Molecular Properties

Compound Nameethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
PubChem CID158907010
Molecular FormulaC31H69N3
Molecular Weight483.91 g/mol
Exact Mass483.55
IUPAC Nameethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
SMILESC.C.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1cncnc1
InChIInChI=1S/C5H5N.C4H4N2.4C4H10.2C2H6.2CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;4*1-4(2)3;2*1-2;;/h1-5H;1-4H;4*4H,1-3H3;2*1-2H3;2*1H4
InChIKeyJGDZFAQHRYUGOG-UHFFFAOYSA-N
XLogP11.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.91
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
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CID 158402451
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
ethane;methane;pyridine
CID 159650211
pyrazine;pyridine;pyrimidine
CID 19013313
ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)
CID 159918770
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
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CID 174640229

Frequently Asked Questions

What is the IUPAC name of ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine?
The IUPAC name of ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine (CID 158907010) is ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine.
What is the SMILES notation for ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine?
The canonical SMILES for ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine is C.C.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccncc1.c1cncnc1.
What is the InChIKey of ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine?
The InChIKey is JGDZFAQHRYUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4N2.4C4H10.2C2H6.2CH4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;4*1-4(2)3;2*1-2;;/h1-5H;1-4H;4*4H,1-3H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine?
ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine has a molecular weight of 483.91 g/mol, XLogP of 11.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine is sourced from PubChem (CID 158907010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).