2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine

C17H16N4S — CID 4160403

IUPAC2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESC=CCNc1cc(-c2cncc(-c3cccs3)c2)nc(C)n1
InChIInChI=1S/C17H16N4S/c1-3-6-19-17-9-15(20-12(2)21-17)13-8-14(11-18-10-13)16-5-4-7-22-16/h3-5,7-11H,1,6H2,2H3,(H,19,20,21)
InChIKeyJZNVKZDFAXSNFK-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.17
Rot. Bonds5

About 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine

2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 4160403) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
PubChem CID4160403
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESC=CCNc1cc(-c2cncc(-c3cccs3)c2)nc(C)n1
InChIInChI=1S/C17H16N4S/c1-3-6-19-17-9-15(20-12(2)21-17)13-8-14(11-18-10-13)16-5-4-7-22-16/h3-5,7-11H,1,6H2,2H3,(H,19,20,21)
InChIKeyJZNVKZDFAXSNFK-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (CID 4160403) is 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is C=CCNc1cc(-c2cncc(-c3cccs3)c2)nc(C)n1.
What is the InChIKey of 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is JZNVKZDFAXSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-3-6-19-17-9-15(20-12(2)21-17)13-8-14(11-18-10-13)16-5-4-7-22-16/h3-5,7-11H,1,6H2,2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 308.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 4160403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).