2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine

C22H26N6O2S — CID 68739103

IUPAC2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3ccc(N4CCOCC4)nc3)s2)nc(CN2CCOCC2)n1
InChIInChI=1S/C22H26N6O2S/c1-3-21(28-9-13-30-14-10-28)24-15-17(1)18-2-4-22(31-18)26-19-5-6-23-20(25-19)16-27-7-11-29-12-8-27/h1-6,15H,7-14,16H2,(H,23,25,26)
InChIKeyAGUDSFZEJYRLGH-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.01
Rot. Bonds6

About 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine (PubChem CID 68739103) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine
PubChem CID68739103
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3ccc(N4CCOCC4)nc3)s2)nc(CN2CCOCC2)n1
InChIInChI=1S/C22H26N6O2S/c1-3-21(28-9-13-30-14-10-28)24-15-17(1)18-2-4-22(31-18)26-19-5-6-23-20(25-19)16-27-7-11-29-12-8-27/h1-6,15H,7-14,16H2,(H,23,25,26)
InChIKeyAGUDSFZEJYRLGH-UHFFFAOYSA-N
XLogP3.01
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 59525683
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-[[5-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]methyl]morpholine
CID 146252768
5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 117084261
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
7-[4-(morpholin-4-ylmethyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-amine
CID 52931837
2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 59525820
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 117093443
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 59829471
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine (CID 68739103) is 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine is c1cc(Nc2ccc(-c3ccc(N4CCOCC4)nc3)s2)nc(CN2CCOCC2)n1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine?
The InChIKey is AGUDSFZEJYRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-3-21(28-9-13-30-14-10-28)24-15-17(1)18-2-4-22(31-18)26-19-5-6-23-20(25-19)16-27-7-11-29-12-8-27/h1-6,15H,7-14,16H2,(H,23,25,26).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine has a molecular weight of 438.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-[5-(6-morpholin-4-yl-3-pyridinyl)thiophen-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 68739103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).