ethane;bis(imidazo[1,2-a]pyrimidine)

C24H46N6 — CID 161252419

IUPACethane;bis(imidazo[1,2-a]pyrimidine)
SMILESCC.CC.CC.CC.CC.CC.c1cnc2nccn2c1.c1cnc2nccn2c1
InChIInChI=1S/2C6H5N3.6C2H6/c2*1-2-7-6-8-3-5-9(6)4-1;6*1-2/h2*1-5H;6*1-2H3
InChIKeyVBLDHXMPAQNEPD-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.62
Rot. Bonds

About ethane;bis(imidazo[1,2-a]pyrimidine)

ethane;bis(imidazo[1,2-a]pyrimidine) (PubChem CID 161252419) has the molecular formula C24H46N6 and a molecular weight of 418.67 g/mol. Its IUPAC name is ethane;bis(imidazo[1,2-a]pyrimidine).

Molecular Properties

Compound Nameethane;bis(imidazo[1,2-a]pyrimidine)
PubChem CID161252419
Molecular FormulaC24H46N6
Molecular Weight418.67 g/mol
Exact Mass418.38
IUPAC Nameethane;bis(imidazo[1,2-a]pyrimidine)
SMILESCC.CC.CC.CC.CC.CC.c1cnc2nccn2c1.c1cnc2nccn2c1
InChIInChI=1S/2C6H5N3.6C2H6/c2*1-2-7-6-8-3-5-9(6)4-1;6*1-2/h2*1-5H;6*1-2H3
InChIKeyVBLDHXMPAQNEPD-UHFFFAOYSA-N
XLogP7.62
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(imidazo[1,2-a]pyrimidine)?
The IUPAC name of ethane;bis(imidazo[1,2-a]pyrimidine) (CID 161252419) is ethane;bis(imidazo[1,2-a]pyrimidine).
What is the SMILES notation for ethane;bis(imidazo[1,2-a]pyrimidine)?
The canonical SMILES for ethane;bis(imidazo[1,2-a]pyrimidine) is CC.CC.CC.CC.CC.CC.c1cnc2nccn2c1.c1cnc2nccn2c1.
What is the InChIKey of ethane;bis(imidazo[1,2-a]pyrimidine)?
The InChIKey is VBLDHXMPAQNEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5N3.6C2H6/c2*1-2-7-6-8-3-5-9(6)4-1;6*1-2/h2*1-5H;6*1-2H3.
What are the key properties of ethane;bis(imidazo[1,2-a]pyrimidine)?
ethane;bis(imidazo[1,2-a]pyrimidine) has a molecular weight of 418.67 g/mol, XLogP of 7.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(imidazo[1,2-a]pyrimidine) is sourced from PubChem (CID 161252419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).