1-ethyl-4-methylidenepyrimidin-2-amine

C7H11N3 — CID 174261577

IUPAC1-ethyl-4-methylidenepyrimidin-2-amine
SMILESC=C1C=CN(CC)C(N)=N1
InChIInChI=1S/C7H11N3/c1-3-10-5-4-6(2)9-7(10)8/h4-5H,2-3H2,1H3,(H2,8,9)
InChIKeyGXUJKXFLEBPLCL-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.66
Rot. Bonds1

About 1-ethyl-4-methylidenepyrimidin-2-amine

1-ethyl-4-methylidenepyrimidin-2-amine (PubChem CID 174261577) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethyl-4-methylidenepyrimidin-2-amine.

Molecular Properties

Compound Name1-ethyl-4-methylidenepyrimidin-2-amine
PubChem CID174261577
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethyl-4-methylidenepyrimidin-2-amine
SMILESC=C1C=CN(CC)C(N)=N1
InChIInChI=1S/C7H11N3/c1-3-10-5-4-6(2)9-7(10)8/h4-5H,2-3H2,1H3,(H2,8,9)
InChIKeyGXUJKXFLEBPLCL-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylidenepyrimidin-2-amine?
The IUPAC name of 1-ethyl-4-methylidenepyrimidin-2-amine (CID 174261577) is 1-ethyl-4-methylidenepyrimidin-2-amine.
What is the SMILES notation for 1-ethyl-4-methylidenepyrimidin-2-amine?
The canonical SMILES for 1-ethyl-4-methylidenepyrimidin-2-amine is C=C1C=CN(CC)C(N)=N1.
What is the InChIKey of 1-ethyl-4-methylidenepyrimidin-2-amine?
The InChIKey is GXUJKXFLEBPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-10-5-4-6(2)9-7(10)8/h4-5H,2-3H2,1H3,(H2,8,9).
What are the key properties of 1-ethyl-4-methylidenepyrimidin-2-amine?
1-ethyl-4-methylidenepyrimidin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylidenepyrimidin-2-amine is sourced from PubChem (CID 174261577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).