N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C17H19N3S — CID 28695534

IUPACN-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C17H19N3S/c1-5-13-8-6-7-10(2)15(13)20-16-14-11(3)12(4)21-17(14)19-9-18-16/h6-9H,5H2,1-4H3,(H,18,19,20)
InChIKeyYXSZCPRFSVKCRV-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.92
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695534) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28695534
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C17H19N3S/c1-5-13-8-6-7-10(2)15(13)20-16-14-11(3)12(4)21-17(14)19-9-18-16/h6-9H,5H2,1-4H3,(H,18,19,20)
InChIKeyYXSZCPRFSVKCRV-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695543
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
(2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 7730536
3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
CID 102984823
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 16616378
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 28695534) is N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCc1cccc(C)c1Nc1ncnc2sc(C)c(C)c12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YXSZCPRFSVKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-5-13-8-6-7-10(2)15(13)20-16-14-11(3)12(4)21-17(14)19-9-18-16/h6-9H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).