ethane;1-ethenyl-5-methylpyrimidin-2-imine

C9H15N3 — CID 169161633

IUPACethane;1-ethenyl-5-methylpyrimidin-2-imine
SMILESCC.[H]/N=c1\ncc(C)cn1C=C
InChIInChI=1S/C7H9N3.C2H6/c1-3-10-5-6(2)4-9-7(10)8;1-2/h3-5,8H,1H2,2H3;1-2H3/b8-7+;
InChIKeyFCIFFLWDULSLQQ-USRGLUTNSA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds1

About ethane;1-ethenyl-5-methylpyrimidin-2-imine

ethane;1-ethenyl-5-methylpyrimidin-2-imine (PubChem CID 169161633) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;1-ethenyl-5-methylpyrimidin-2-imine.

Molecular Properties

Compound Nameethane;1-ethenyl-5-methylpyrimidin-2-imine
PubChem CID169161633
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;1-ethenyl-5-methylpyrimidin-2-imine
SMILESCC.[H]/N=c1\ncc(C)cn1C=C
InChIInChI=1S/C7H9N3.C2H6/c1-3-10-5-6(2)4-9-7(10)8;1-2/h3-5,8H,1H2,2H3;1-2H3/b8-7+;
InChIKeyFCIFFLWDULSLQQ-USRGLUTNSA-N
XLogP1.80
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-5-methylpyrimidin-2-imine?
The IUPAC name of ethane;1-ethenyl-5-methylpyrimidin-2-imine (CID 169161633) is ethane;1-ethenyl-5-methylpyrimidin-2-imine.
What is the SMILES notation for ethane;1-ethenyl-5-methylpyrimidin-2-imine?
The canonical SMILES for ethane;1-ethenyl-5-methylpyrimidin-2-imine is CC.[H]/N=c1\ncc(C)cn1C=C.
What is the InChIKey of ethane;1-ethenyl-5-methylpyrimidin-2-imine?
The InChIKey is FCIFFLWDULSLQQ-USRGLUTNSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-3-10-5-6(2)4-9-7(10)8;1-2/h3-5,8H,1H2,2H3;1-2H3/b8-7+;.
What are the key properties of ethane;1-ethenyl-5-methylpyrimidin-2-imine?
ethane;1-ethenyl-5-methylpyrimidin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-5-methylpyrimidin-2-imine is sourced from PubChem (CID 169161633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).