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

C18H17ClN4O2S — CID 87669032

IUPACN-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-11(24)20-13-4-2-3-12(9-13)15-10-14-16(23-5-7-25-8-6-23)21-18(19)22-17(14)26-15/h2-4,9-10H,5-8H2,1H3,(H,20,24)
InChIKeyDZUJZFFNMYVJOY-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.81
Rot. Bonds3

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

N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 87669032) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID87669032
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-11(24)20-13-4-2-3-12(9-13)15-10-14-16(23-5-7-25-8-6-23)21-18(19)22-17(14)26-15/h2-4,9-10H,5-8H2,1H3,(H,20,24)
InChIKeyDZUJZFFNMYVJOY-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
CID 86630074
N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 59829571
4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86618371
4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
tert-butyl N-[4-[3-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutan-2-yl]carbamate
CID 131728570
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
4-[2-chloro-6-(2-methoxypropan-2-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86624263
[3-[(2-chloro-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]urea
CID 86637646
4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 56942033
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 87669032) is N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)c1.
What is the InChIKey of N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is DZUJZFFNMYVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-11(24)20-13-4-2-3-12(9-13)15-10-14-16(23-5-7-25-8-6-23)21-18(19)22-17(14)26-15/h2-4,9-10H,5-8H2,1H3,(H,20,24).
What are the key properties of N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 388.88 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 87669032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).