N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine

C16H17N3OS — CID 103332005

IUPACN-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccccc2CC)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-3-11-7-5-6-8-13(11)20-14-12-9-10-21-15(12)19-16(18-14)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyUFJMYRBKMKFBHL-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.48
Rot. Bonds5

About N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332005) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332005
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccccc2CC)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-3-11-7-5-6-8-13(11)20-14-12-9-10-21-15(12)19-16(18-14)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyUFJMYRBKMKFBHL-UHFFFAOYSA-N
XLogP4.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331849
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332005) is N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2ccccc2CC)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UFJMYRBKMKFBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-11-7-5-6-8-13(11)20-14-12-9-10-21-15(12)19-16(18-14)17-4-2/h5-10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).