6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine

C11H9N3O — CID 126848548

IUPAC6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1cc(-c2ccoc2)ncn1
InChIInChI=1S/C11H9N3O/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h1,3,5-8H,4H2,(H,12,13,14)
InChIKeyMSGRFHGHWOIUNN-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.78
Rot. Bonds3

About 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine

6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 126848548) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine
PubChem CID126848548
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1cc(-c2ccoc2)ncn1
InChIInChI=1S/C11H9N3O/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h1,3,5-8H,4H2,(H,12,13,14)
InChIKeyMSGRFHGHWOIUNN-UHFFFAOYSA-N
XLogP1.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine (CID 126848548) is 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine is C#CCNc1cc(-c2ccoc2)ncn1.
What is the InChIKey of 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is MSGRFHGHWOIUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-4-12-11-6-10(13-8-14-11)9-3-5-15-7-9/h1,3,5-8H,4H2,(H,12,13,14).
What are the key properties of 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine?
6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 199.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 126848548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).