N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

C20H16ClN3OS — CID 28695635

IUPACN-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(Cl)ccc3Oc3ccccc3)ncnc2s1
InChIInChI=1S/C20H16ClN3OS/c1-2-15-11-16-19(22-12-23-20(16)26-15)24-17-10-13(21)8-9-18(17)25-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyOJIAJXXIJCIBSI-UHFFFAOYSA-N
MW381.89 g/mol
LogP6.44
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695635) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28695635
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(Cl)ccc3Oc3ccccc3)ncnc2s1
InChIInChI=1S/C20H16ClN3OS/c1-2-15-11-16-19(22-12-23-20(16)26-15)24-17-10-13(21)8-9-18(17)25-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,24)
InChIKeyOJIAJXXIJCIBSI-UHFFFAOYSA-N
XLogP6.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 28695635) is N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3cc(Cl)ccc3Oc3ccccc3)ncnc2s1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OJIAJXXIJCIBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-2-15-11-16-19(22-12-23-20(16)26-15)24-17-10-13(21)8-9-18(17)25-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 381.89 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).