N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine

C20H17N5S — CID 155532663

IUPACN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESc1ccc(CN(Cc2ccccn2)c2cc(-c3ccsc3)ncn2)nc1
InChIInChI=1S/C20H17N5S/c1-3-8-21-17(5-1)12-25(13-18-6-2-4-9-22-18)20-11-19(23-15-24-20)16-7-10-26-14-16/h1-11,14-15H,12-13H2
InChIKeyOTHWUACDENGMBZ-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.20
Rot. Bonds6

About N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine

N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 155532663) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID155532663
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC NameN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine
SMILESc1ccc(CN(Cc2ccccn2)c2cc(-c3ccsc3)ncn2)nc1
InChIInChI=1S/C20H17N5S/c1-3-8-21-17(5-1)12-25(13-18-6-2-4-9-22-18)20-11-19(23-15-24-20)16-7-10-26-14-16/h1-11,14-15H,12-13H2
InChIKeyOTHWUACDENGMBZ-UHFFFAOYSA-N
XLogP4.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine (CID 155532663) is N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine is c1ccc(CN(Cc2ccccn2)c2cc(-c3ccsc3)ncn2)nc1.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is OTHWUACDENGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-3-8-21-17(5-1)12-25(13-18-6-2-4-9-22-18)20-11-19(23-15-24-20)16-7-10-26-14-16/h1-11,14-15H,12-13H2.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine?
N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 359.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 155532663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).