(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine

C18H27N5OS — CID 97211283

IUPAC(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine
SMILESCCc1cc2c(N3CCO[C@@H](CN4CCN(C)CC4)C3)ncnc2s1
InChIInChI=1S/C18H27N5OS/c1-3-15-10-16-17(19-13-20-18(16)25-15)23-8-9-24-14(12-23)11-22-6-4-21(2)5-7-22/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQSOSUKBYGNCFKQ-AWEZNQCLSA-N
MW361.52 g/mol
LogP1.71
Rot. Bonds4

About (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine

(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine (PubChem CID 97211283) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine
PubChem CID97211283
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine
SMILESCCc1cc2c(N3CCO[C@@H](CN4CCN(C)CC4)C3)ncnc2s1
InChIInChI=1S/C18H27N5OS/c1-3-15-10-16-17(19-13-20-18(16)25-15)23-8-9-24-14(12-23)11-22-6-4-21(2)5-7-22/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQSOSUKBYGNCFKQ-AWEZNQCLSA-N
XLogP1.71
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine with MolForge

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Related Compounds

(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92877156
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707
4-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899897
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 146104926
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine?
The IUPAC name of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine (CID 97211283) is (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine is CCc1cc2c(N3CCO[C@@H](CN4CCN(C)CC4)C3)ncnc2s1.
What is the InChIKey of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine?
The InChIKey is QSOSUKBYGNCFKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-3-15-10-16-17(19-13-20-18(16)25-15)23-8-9-24-14(12-23)11-22-6-4-21(2)5-7-22/h10,13-14H,3-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine?
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine has a molecular weight of 361.52 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine is sourced from PubChem (CID 97211283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).