N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C19H26N4O2S2 — CID 34254499

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H26N4O2S2/c24-16(12-27-18-17-15(4-11-26-17)21-14-22-18)20-13-19(5-2-1-3-6-19)23-7-9-25-10-8-23/h4,11,14H,1-3,5-10,12-13H2,(H,20,24)
InChIKeyGVRQIEMHMSKDSE-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.93
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 34254499) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID34254499
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H26N4O2S2/c24-16(12-27-18-17-15(4-11-26-17)21-14-22-18)20-13-19(5-2-1-3-6-19)23-7-9-25-10-8-23/h4,11,14H,1-3,5-10,12-13H2,(H,20,24)
InChIKeyGVRQIEMHMSKDSE-UHFFFAOYSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16602081
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16567192
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 16564964
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123864
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 34254499) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is GVRQIEMHMSKDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c24-16(12-27-18-17-15(4-11-26-17)21-14-22-18)20-13-19(5-2-1-3-6-19)23-7-9-25-10-8-23/h4,11,14H,1-3,5-10,12-13H2,(H,20,24).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 406.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 34254499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).