5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine

C19H17N5OS — CID 23020435

IUPAC5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
SMILESCN(C)c1cc(-c2c(-c3ccsc3)nc(N)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H17N5OS/c1-24(2)15-10-12(5-7-21-15)16-17(13-6-9-26-11-13)22-19(20)23-18(16)14-4-3-8-25-14/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyGNAXARJKMSDSRN-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.18
Rot. Bonds4

About 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine

5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine (PubChem CID 23020435) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
PubChem CID23020435
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
SMILESCN(C)c1cc(-c2c(-c3ccsc3)nc(N)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H17N5OS/c1-24(2)15-10-12(5-7-21-15)16-17(13-6-9-26-11-13)22-19(20)23-18(16)14-4-3-8-25-14/h3-11H,1-2H3,(H2,20,22,23)
InChIKeyGNAXARJKMSDSRN-UHFFFAOYSA-N
XLogP4.18
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine (CID 23020435) is 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine is CN(C)c1cc(-c2c(-c3ccsc3)nc(N)nc2-c2ccco2)ccn1.
What is the InChIKey of 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is GNAXARJKMSDSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-24(2)15-10-12(5-7-21-15)16-17(13-6-9-26-11-13)22-19(20)23-18(16)14-4-3-8-25-14/h3-11H,1-2H3,(H2,20,22,23).
What are the key properties of 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine?
5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 23020435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).