N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide

C20H22N6O2S — CID 155520924

IUPACN-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccnc(NCCN2CCOCC2)n1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H22N6O2S/c27-19(17-5-4-16(29-17)15-3-1-2-7-21-15)24-18-6-8-22-20(25-18)23-9-10-26-11-13-28-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25,27)
InChIKeyLYQLNNIPOMUXGH-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide

N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 155520924) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID155520924
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccnc(NCCN2CCOCC2)n1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H22N6O2S/c27-19(17-5-4-16(29-17)15-3-1-2-7-21-15)24-18-6-8-22-20(25-18)23-9-10-26-11-13-28-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25,27)
InChIKeyLYQLNNIPOMUXGH-UHFFFAOYSA-N
XLogP2.60
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 155520924) is N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide is O=C(Nc1ccnc(NCCN2CCOCC2)n1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is LYQLNNIPOMUXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c27-19(17-5-4-16(29-17)15-3-1-2-7-21-15)24-18-6-8-22-20(25-18)23-9-10-26-11-13-28-14-12-26/h1-8H,9-14H2,(H2,22,23,24,25,27).
What are the key properties of N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 155520924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).