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

C15H20ClN5O3S2 — CID 169032599

IUPAC4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C15H20ClN5O3S2/c1-26(22,23)21-4-2-19(3-5-21)12-10-11-13(25-12)14(18-15(16)17-11)20-6-8-24-9-7-20/h10H,2-9H2,1H3
InChIKeyFEICSGXEQBJIIE-UHFFFAOYSA-N
MW417.94 g/mol
LogP1.26
Rot. Bonds3

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

4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 169032599) has the molecular formula C15H20ClN5O3S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID169032599
Molecular FormulaC15H20ClN5O3S2
Molecular Weight417.94 g/mol
Exact Mass417.07
IUPAC Name4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C15H20ClN5O3S2/c1-26(22,23)21-4-2-19(3-5-21)12-10-11-13(25-12)14(18-15(16)17-11)20-6-8-24-9-7-20/h10H,2-9H2,1H3
InChIKeyFEICSGXEQBJIIE-UHFFFAOYSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 86630079
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl methanesulfonate
CID 86618430
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine
CID 91443979
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
N-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)propanamide
CID 86618387
(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-(4-methylsulfonylphenyl)methanol
CID 86618454
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
[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 66553869

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 169032599) is 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is CS(=O)(=O)N1CCN(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is FEICSGXEQBJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O3S2/c1-26(22,23)21-4-2-19(3-5-21)12-10-11-13(25-12)14(18-15(16)17-11)20-6-8-24-9-7-20/h10H,2-9H2,1H3.
What are the key properties of 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 417.94 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 169032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).