N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine

C11H11N3S — CID 126848892

IUPACN-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccsc2)ncn1
InChIInChI=1S/C11H11N3S/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h2-3,5-8H,1,4H2,(H,12,13,14)
InChIKeyOAUFYLGGQOASHD-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.80
Rot. Bonds4

About N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine

N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 126848892) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID126848892
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC NameN-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccsc2)ncn1
InChIInChI=1S/C11H11N3S/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h2-3,5-8H,1,4H2,(H,12,13,14)
InChIKeyOAUFYLGGQOASHD-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine (CID 126848892) is N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine is C=CCNc1cc(-c2ccsc2)ncn1.
What is the InChIKey of N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is OAUFYLGGQOASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h2-3,5-8H,1,4H2,(H,12,13,14).
What are the key properties of N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine?
N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 217.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).