5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C10H11N5 — CID 126663630

IUPAC5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1-c1cnn(C)c1
InChIInChI=1S/C10H11N5/c1-3-8-9(12-6-13-10(8)11)7-4-14-15(2)5-7/h3-6H,1H2,2H3,(H2,11,12,13)
InChIKeyVKLHCHMLTFVBIS-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.10
Rot. Bonds2

About 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 126663630) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID126663630
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1-c1cnn(C)c1
InChIInChI=1S/C10H11N5/c1-3-8-9(12-6-13-10(8)11)7-4-14-15(2)5-7/h3-6H,1H2,2H3,(H2,11,12,13)
InChIKeyVKLHCHMLTFVBIS-UHFFFAOYSA-N
XLogP1.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 126663630) is 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is C=Cc1c(N)ncnc1-c1cnn(C)c1.
What is the InChIKey of 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is VKLHCHMLTFVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-3-8-9(12-6-13-10(8)11)7-4-14-15(2)5-7/h3-6H,1H2,2H3,(H2,11,12,13).
What are the key properties of 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 201.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 126663630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).