[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

C19H25N4OS+ — CID 8017180

IUPAC[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c23)[NH+](C)C)cc1
InChIInChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-16(23(3)4)14-6-8-15(24-5)9-7-14/h6-9,11,16H,10H2,1-5H3,(H,20,21,22)/p+1/t16-/m1/s1
InChIKeyHGLOPJZRUUMYDY-MRXNPFEDSA-O
MW357.50 g/mol
LogP2.61
Rot. Bonds6

About [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 8017180) has the molecular formula C19H25N4OS+ and a molecular weight of 357.50 g/mol. Its IUPAC name is [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID8017180
Molecular FormulaC19H25N4OS+
Molecular Weight357.50 g/mol
Exact Mass357.17
IUPAC Name[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c23)[NH+](C)C)cc1
InChIInChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-16(23(3)4)14-6-8-15(24-5)9-7-14/h6-9,11,16H,10H2,1-5H3,(H,20,21,22)/p+1/t16-/m1/s1
InChIKeyHGLOPJZRUUMYDY-MRXNPFEDSA-O
XLogP2.61
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium with MolForge

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Related Compounds

(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 2576474
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 52680009
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 39084874
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 138044737
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9400677

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (CID 8017180) is [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c23)[NH+](C)C)cc1.
What is the InChIKey of [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is HGLOPJZRUUMYDY-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-16(23(3)4)14-6-8-15(24-5)9-7-14/h6-9,11,16H,10H2,1-5H3,(H,20,21,22)/p+1/t16-/m1/s1.
What are the key properties of [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 357.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 8017180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).