propane;bis(pyrimidine)

C11H16N4 — CID 91609456

IUPACpropane;bis(pyrimidine)
SMILESCCC.c1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2.C3H8/c2*1-2-5-4-6-3-1;1-3-2/h2*1-4H;3H2,1-2H3
InChIKeyFMLYPZDZPTYKDT-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.37
Rot. Bonds

About propane;bis(pyrimidine)

propane;bis(pyrimidine) (PubChem CID 91609456) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is propane;bis(pyrimidine).

Molecular Properties

Compound Namepropane;bis(pyrimidine)
PubChem CID91609456
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Namepropane;bis(pyrimidine)
SMILESCCC.c1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2.C3H8/c2*1-2-5-4-6-3-1;1-3-2/h2*1-4H;3H2,1-2H3
InChIKeyFMLYPZDZPTYKDT-UHFFFAOYSA-N
XLogP2.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;propane;pyrimidine
CID 91514056
pyrimidine;bis(tungsten(2+))
CID 175709201
iron;pyrimidine
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CID 140826173
pyrimidine;trimethylstannane
CID 157412303
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
iminonickel;pyrimidine
CID 175480865
ethane;methane;propane;1,3,5-triazine
CID 159481307
hypochlorous acid;pyrimidine
CID 161391603
CID 174457230
CID 174457230

Frequently Asked Questions

What is the IUPAC name of propane;bis(pyrimidine)?
The IUPAC name of propane;bis(pyrimidine) (CID 91609456) is propane;bis(pyrimidine).
What is the SMILES notation for propane;bis(pyrimidine)?
The canonical SMILES for propane;bis(pyrimidine) is CCC.c1cncnc1.c1cncnc1.
What is the InChIKey of propane;bis(pyrimidine)?
The InChIKey is FMLYPZDZPTYKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2.C3H8/c2*1-2-5-4-6-3-1;1-3-2/h2*1-4H;3H2,1-2H3.
What are the key properties of propane;bis(pyrimidine)?
propane;bis(pyrimidine) has a molecular weight of 204.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;bis(pyrimidine) is sourced from PubChem (CID 91609456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).