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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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).