ethane;ethene;4-methylpyrimidin-2-amine

C9H17N3 — CID 142106657

IUPACethane;ethene;4-methylpyrimidin-2-amine
SMILESC=C.CC.Cc1ccnc(N)n1
InChIInChI=1S/C5H7N3.C2H6.C2H4/c1-4-2-3-7-5(6)8-4;2*1-2/h2-3H,1H3,(H2,6,7,8);1-2H3;1-2H2
InChIKeyVXKQFWKCFBLJSX-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.20
Rot. Bonds

About ethane;ethene;4-methylpyrimidin-2-amine

ethane;ethene;4-methylpyrimidin-2-amine (PubChem CID 142106657) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;ethene;4-methylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;ethene;4-methylpyrimidin-2-amine
PubChem CID142106657
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;ethene;4-methylpyrimidin-2-amine
SMILESC=C.CC.Cc1ccnc(N)n1
InChIInChI=1S/C5H7N3.C2H6.C2H4/c1-4-2-3-7-5(6)8-4;2*1-2/h2-3H,1H3,(H2,6,7,8);1-2H3;1-2H2
InChIKeyVXKQFWKCFBLJSX-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-methylpyrimidin-2-amine?
The IUPAC name of ethane;ethene;4-methylpyrimidin-2-amine (CID 142106657) is ethane;ethene;4-methylpyrimidin-2-amine.
What is the SMILES notation for ethane;ethene;4-methylpyrimidin-2-amine?
The canonical SMILES for ethane;ethene;4-methylpyrimidin-2-amine is C=C.CC.Cc1ccnc(N)n1.
What is the InChIKey of ethane;ethene;4-methylpyrimidin-2-amine?
The InChIKey is VXKQFWKCFBLJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C2H6.C2H4/c1-4-2-3-7-5(6)8-4;2*1-2/h2-3H,1H3,(H2,6,7,8);1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-methylpyrimidin-2-amine?
ethane;ethene;4-methylpyrimidin-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-methylpyrimidin-2-amine is sourced from PubChem (CID 142106657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).