ethane;1-ethyl-N-methylpyrimidin-2-imine

C9H17N3 — CID 142258452

IUPACethane;1-ethyl-N-methylpyrimidin-2-imine
SMILESCC.CCn1cccn/c1=N\C
InChIInChI=1S/C7H11N3.C2H6/c1-3-10-6-4-5-9-7(10)8-2;1-2/h4-6H,3H2,1-2H3;1-2H3/b8-7+;
InChIKeyHXAMCTRPZPPLQA-USRGLUTNSA-N
MW167.26 g/mol
LogP1.46
Rot. Bonds1

About ethane;1-ethyl-N-methylpyrimidin-2-imine

ethane;1-ethyl-N-methylpyrimidin-2-imine (PubChem CID 142258452) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;1-ethyl-N-methylpyrimidin-2-imine.

Molecular Properties

Compound Nameethane;1-ethyl-N-methylpyrimidin-2-imine
PubChem CID142258452
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;1-ethyl-N-methylpyrimidin-2-imine
SMILESCC.CCn1cccn/c1=N\C
InChIInChI=1S/C7H11N3.C2H6/c1-3-10-6-4-5-9-7(10)8-2;1-2/h4-6H,3H2,1-2H3;1-2H3/b8-7+;
InChIKeyHXAMCTRPZPPLQA-USRGLUTNSA-N
XLogP1.46
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-N-methylpyrimidin-2-imine?
The IUPAC name of ethane;1-ethyl-N-methylpyrimidin-2-imine (CID 142258452) is ethane;1-ethyl-N-methylpyrimidin-2-imine.
What is the SMILES notation for ethane;1-ethyl-N-methylpyrimidin-2-imine?
The canonical SMILES for ethane;1-ethyl-N-methylpyrimidin-2-imine is CC.CCn1cccn/c1=N\C.
What is the InChIKey of ethane;1-ethyl-N-methylpyrimidin-2-imine?
The InChIKey is HXAMCTRPZPPLQA-USRGLUTNSA-N. The full InChI is InChI=1S/C7H11N3.C2H6/c1-3-10-6-4-5-9-7(10)8-2;1-2/h4-6H,3H2,1-2H3;1-2H3/b8-7+;.
What are the key properties of ethane;1-ethyl-N-methylpyrimidin-2-imine?
ethane;1-ethyl-N-methylpyrimidin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-N-methylpyrimidin-2-imine is sourced from PubChem (CID 142258452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).