6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

C18H15N5OS — CID 59683109

IUPAC6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESc1cncc(CCNc2cc(-c3ccco3)nc(-c3nccs3)n2)c1
InChIInChI=1S/C18H15N5OS/c1-3-13(12-19-6-1)5-7-20-16-11-14(15-4-2-9-24-15)22-17(23-16)18-21-8-10-25-18/h1-4,6,8-12H,5,7H2,(H,20,22,23)
InChIKeyQWKFSXCXCRBUQK-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.91
Rot. Bonds6

About 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 59683109) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID59683109
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESc1cncc(CCNc2cc(-c3ccco3)nc(-c3nccs3)n2)c1
InChIInChI=1S/C18H15N5OS/c1-3-13(12-19-6-1)5-7-20-16-11-14(15-4-2-9-24-15)22-17(23-16)18-21-8-10-25-18/h1-4,6,8-12H,5,7H2,(H,20,22,23)
InChIKeyQWKFSXCXCRBUQK-UHFFFAOYSA-N
XLogP3.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 59683109) is 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is c1cncc(CCNc2cc(-c3ccco3)nc(-c3nccs3)n2)c1.
What is the InChIKey of 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is QWKFSXCXCRBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-3-13(12-19-6-1)5-7-20-16-11-14(15-4-2-9-24-15)22-17(23-16)18-21-8-10-25-18/h1-4,6,8-12H,5,7H2,(H,20,22,23).
What are the key properties of 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 349.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 59683109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).