4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C18H15ClN4OS — CID 87689923

IUPAC4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(-c3ccc4cc[nH]c4c3)cc2n1
InChIInChI=1S/C18H15ClN4OS/c19-18-21-14-10-15(12-2-1-11-3-4-20-13(11)9-12)25-16(14)17(22-18)23-5-7-24-8-6-23/h1-4,9-10,20H,5-8H2
InChIKeyNKWAJPBAFTVAOR-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.33
Rot. Bonds2

About 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 87689923) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID87689923
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(-c3ccc4cc[nH]c4c3)cc2n1
InChIInChI=1S/C18H15ClN4OS/c19-18-21-14-10-15(12-2-1-11-3-4-20-13(11)9-12)25-16(14)17(22-18)23-5-7-24-8-6-23/h1-4,9-10,20H,5-8H2
InChIKeyNKWAJPBAFTVAOR-UHFFFAOYSA-N
XLogP4.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
4-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)aniline
CID 59829352
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369
2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59593089
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
2-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-1-methoxypropan-2-ol
CID 86624221
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
4-[2-chloro-6-(6-fluoro-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 86618371
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 87689923) is 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Clc1nc(N2CCOCC2)c2sc(-c3ccc4cc[nH]c4c3)cc2n1.
What is the InChIKey of 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is NKWAJPBAFTVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c19-18-21-14-10-15(12-2-1-11-3-4-20-13(11)9-12)25-16(14)17(22-18)23-5-7-24-8-6-23/h1-4,9-10,20H,5-8H2.
What are the key properties of 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 370.87 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 87689923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).