ethane;2-methylpyrimidine;propane

C10H20N2 — CID 145481789

IUPACethane;2-methylpyrimidine;propane
SMILESCC.CCC.Cc1ncccn1
InChIInChI=1S/C5H6N2.C3H8.C2H6/c1-5-6-3-2-4-7-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyWKRQFGUKWINSEP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.23
Rot. Bonds

About ethane;2-methylpyrimidine;propane

ethane;2-methylpyrimidine;propane (PubChem CID 145481789) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;2-methylpyrimidine;propane.

Molecular Properties

Compound Nameethane;2-methylpyrimidine;propane
PubChem CID145481789
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;2-methylpyrimidine;propane
SMILESCC.CCC.Cc1ncccn1
InChIInChI=1S/C5H6N2.C3H8.C2H6/c1-5-6-3-2-4-7-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyWKRQFGUKWINSEP-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,8-naphthyridine;propane
CID 142433930
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrimidine;propane?
The IUPAC name of ethane;2-methylpyrimidine;propane (CID 145481789) is ethane;2-methylpyrimidine;propane.
What is the SMILES notation for ethane;2-methylpyrimidine;propane?
The canonical SMILES for ethane;2-methylpyrimidine;propane is CC.CCC.Cc1ncccn1.
What is the InChIKey of ethane;2-methylpyrimidine;propane?
The InChIKey is WKRQFGUKWINSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C3H8.C2H6/c1-5-6-3-2-4-7-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylpyrimidine;propane?
ethane;2-methylpyrimidine;propane has a molecular weight of 168.28 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrimidine;propane is sourced from PubChem (CID 145481789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).