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

C16H17N3S — CID 15985074

IUPACN-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C16H17N3S/c1-4-12-7-5-6-8-13(12)19-15-14-10(2)11(3)20-16(14)18-9-17-15/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyXFXHUJRSYLNGIC-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.61
Rot. Bonds3

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

N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 15985074) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID15985074
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C16H17N3S/c1-4-12-7-5-6-8-13(12)19-15-14-10(2)11(3)20-16(14)18-9-17-15/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyXFXHUJRSYLNGIC-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985503
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
ethyl 4-(2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011468
5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 52679182
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 15985074) is N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCc1ccccc1Nc1ncnc2sc(C)c(C)c12.
What is the InChIKey of N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XFXHUJRSYLNGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-4-12-7-5-6-8-13(12)19-15-14-10(2)11(3)20-16(14)18-9-17-15/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15985074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).