1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine

C14H19ClN4O3S2 — CID 91443979

IUPAC1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CC(N)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C14H19ClN4O3S2/c1-2-24(20,21)8-9(16)11-7-10-12(23-11)13(18-14(15)17-10)19-3-5-22-6-4-19/h7,9H,2-6,8,16H2,1H3
InChIKeyUQQZXFABKBWHKE-UHFFFAOYSA-N
MW390.92 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine

1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine (PubChem CID 91443979) has the molecular formula C14H19ClN4O3S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine
PubChem CID91443979
Molecular FormulaC14H19ClN4O3S2
Molecular Weight390.92 g/mol
Exact Mass390.06
IUPAC Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CC(N)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C14H19ClN4O3S2/c1-2-24(20,21)8-9(16)11-7-10-12(23-11)13(18-14(15)17-10)19-3-5-22-6-4-19/h7,9H,2-6,8,16H2,1H3
InChIKeyUQQZXFABKBWHKE-UHFFFAOYSA-N
XLogP1.62
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl methanesulfonate
CID 86618430
(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-(4-methylsulfonylphenyl)methanol
CID 86618454
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
N-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propanamide
CID 86618387
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
3-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 86618450
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
4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87185652
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine (CID 91443979) is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine is CCS(=O)(=O)CC(N)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine?
The InChIKey is UQQZXFABKBWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3S2/c1-2-24(20,21)8-9(16)11-7-10-12(23-11)13(18-14(15)17-10)19-3-5-22-6-4-19/h7,9H,2-6,8,16H2,1H3.
What are the key properties of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine?
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine has a molecular weight of 390.92 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine is sourced from PubChem (CID 91443979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).