N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine

C19H16N4OS — CID 3649040

IUPACN-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)cc(-c2cncc(-c3cccs3)c2)n1
InChIInChI=1S/C19H16N4OS/c1-13-22-17(9-19(23-13)21-12-16-4-2-6-24-16)14-8-15(11-20-10-14)18-5-3-7-25-18/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyJZAGXRDPOIQSBE-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.78
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 3649040) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
PubChem CID3649040
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccco2)cc(-c2cncc(-c3cccs3)c2)n1
InChIInChI=1S/C19H16N4OS/c1-13-22-17(9-19(23-13)21-12-16-4-2-6-24-16)14-8-15(11-20-10-14)18-5-3-7-25-18/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyJZAGXRDPOIQSBE-UHFFFAOYSA-N
XLogP4.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (CID 3649040) is N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is Cc1nc(NCc2ccco2)cc(-c2cncc(-c3cccs3)c2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is JZAGXRDPOIQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-22-17(9-19(23-13)21-12-16-4-2-6-24-16)14-8-15(11-20-10-14)18-5-3-7-25-18/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 3649040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).