N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine

C19H21N5OS — CID 92571387

IUPACN-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NCCN3CCOCC3)ncc2-c2ccncc2)c1
InChIInChI=1S/C19H21N5OS/c1-2-17(26-13-1)18-16(15-3-5-20-6-4-15)14-22-19(23-18)21-7-8-24-9-11-25-12-10-24/h1-6,13-14H,7-12H2,(H,21,22,23)
InChIKeyGQNTVGULCSLLBL-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.01
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine

N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 92571387) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID92571387
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NCCN3CCOCC3)ncc2-c2ccncc2)c1
InChIInChI=1S/C19H21N5OS/c1-2-17(26-13-1)18-16(15-3-5-20-6-4-15)14-22-19(23-18)21-7-8-24-9-11-25-12-10-24/h1-6,13-14H,7-12H2,(H,21,22,23)
InChIKeyGQNTVGULCSLLBL-UHFFFAOYSA-N
XLogP3.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine (CID 92571387) is N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine is c1csc(-c2nc(NCCN3CCOCC3)ncc2-c2ccncc2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is GQNTVGULCSLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-2-17(26-13-1)18-16(15-3-5-20-6-4-15)14-22-19(23-18)21-7-8-24-9-11-25-12-10-24/h1-6,13-14H,7-12H2,(H,21,22,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine?
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 92571387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).