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

C19H24N4OS — CID 4796915

IUPACN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ncnc3sc(C)c(C)c23)N(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)
InChIKeyHGLOPJZRUUMYDY-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.03
Rot. Bonds6

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

N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 4796915) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID4796915
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ncnc3sc(C)c(C)c23)N(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)
InChIKeyHGLOPJZRUUMYDY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 4796915) is N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccc(C(CNc2ncnc3sc(C)c(C)c23)N(C)C)cc1.
What is the InChIKey of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is HGLOPJZRUUMYDY-UHFFFAOYSA-N. 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).
What are the key properties of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-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 N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 4796915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).