5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide

C18H25N5O2S2 — CID 53190246

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(=O)NCCN3CCOCC3)nc(N3CCSCC3)c12
InChIInChI=1S/C18H25N5O2S2/c1-13-15-14(12-27-13)20-16(21-17(15)23-6-10-26-11-7-23)18(24)19-2-3-22-4-8-25-9-5-22/h12H,2-11H2,1H3,(H,19,24)
InChIKeyXQMFTFWRMVXPPC-UHFFFAOYSA-N
MW407.57 g/mol
LogP1.61
Rot. Bonds5

About 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide

5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide (PubChem CID 53190246) has the molecular formula C18H25N5O2S2 and a molecular weight of 407.57 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
PubChem CID53190246
Molecular FormulaC18H25N5O2S2
Molecular Weight407.57 g/mol
Exact Mass407.14
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(=O)NCCN3CCOCC3)nc(N3CCSCC3)c12
InChIInChI=1S/C18H25N5O2S2/c1-13-15-14(12-27-13)20-16(21-17(15)23-6-10-26-11-7-23)18(24)19-2-3-22-4-8-25-9-5-22/h12H,2-11H2,1H3,(H,19,24)
InChIKeyXQMFTFWRMVXPPC-UHFFFAOYSA-N
XLogP1.61
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190284
5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190261
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methyl-4-morpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190228
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4602022
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190129
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide (CID 53190246) is 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide is Cc1scc2nc(C(=O)NCCN3CCOCC3)nc(N3CCSCC3)c12.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is XQMFTFWRMVXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S2/c1-13-15-14(12-27-13)20-16(21-17(15)23-6-10-26-11-7-23)18(24)19-2-3-22-4-8-25-9-5-22/h12H,2-11H2,1H3,(H,19,24).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 407.57 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53190246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).