N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide

C23H21N5O2S — CID 59829571

IUPACN-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(-c4cccnc4)nc3s2)c1
InChIInChI=1S/C23H21N5O2S/c1-15(29)25-18-6-2-4-16(12-18)20-13-19-22(28-8-10-30-11-9-28)26-21(27-23(19)31-20)17-5-3-7-24-14-17/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyRYEZIWXPBVMEAH-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.22
Rot. Bonds4

About N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide

N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 59829571) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID59829571
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(-c4cccnc4)nc3s2)c1
InChIInChI=1S/C23H21N5O2S/c1-15(29)25-18-6-2-4-16(12-18)20-13-19-22(28-8-10-30-11-9-28)26-21(27-23(19)31-20)17-5-3-7-24-14-17/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyRYEZIWXPBVMEAH-UHFFFAOYSA-N
XLogP4.22
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 87669032
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine
CID 59829572
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829270
N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
CID 86630074
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
4-(4-pyridin-3-yl-8-thia-3,5,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
CID 57334271
(4-methylpiperazin-1-yl)-[3-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 59592999
4-(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 2547146
[4-[(7S)-7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 41023542
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 59829571) is N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(-c4cccnc4)nc3s2)c1.
What is the InChIKey of N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is RYEZIWXPBVMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-15(29)25-18-6-2-4-16(12-18)20-13-19-22(28-8-10-30-11-9-28)26-21(27-23(19)31-20)17-5-3-7-24-14-17/h2-7,12-14H,8-11H2,1H3,(H,25,29).
What are the key properties of N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 59829571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).