(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C19H24N4OS — CID 2576474

IUPAC(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c12)N(C)C
InChIInChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-15(23(3)4)14-8-6-7-9-16(14)24-5/h6-9,11,15H,10H2,1-5H3,(H,20,21,22)/t15-/m0/s1
InChIKeyILSBBOYTMAJXHE-HNNXBMFYSA-N
MW356.50 g/mol
LogP4.03
Rot. Bonds6

About (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 2576474) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID2576474
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c12)N(C)C
InChIInChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-15(23(3)4)14-8-6-7-9-16(14)24-5/h6-9,11,15H,10H2,1-5H3,(H,20,21,22)/t15-/m0/s1
InChIKeyILSBBOYTMAJXHE-HNNXBMFYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine with MolForge

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Related Compounds

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
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 52680009
[(1S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8017180
(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
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 2576474) is (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c12)N(C)C.
What is the InChIKey of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is ILSBBOYTMAJXHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-13(2)25-19-17(12)18(21-11-22-19)20-10-15(23(3)4)14-8-6-7-9-16(14)24-5/h6-9,11,15H,10H2,1-5H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 356.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 2576474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).