4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine

C17H19N3OS — CID 46943534

IUPAC4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCc1ccccc1Oc1nc(NC(C)C)nc2ccsc12
InChIInChI=1S/C17H19N3OS/c1-4-12-7-5-6-8-14(12)21-16-15-13(9-10-22-15)19-17(20-16)18-11(2)3/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyGTNUQDRFPPBQKE-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.87
Rot. Bonds5

About 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine

4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 46943534) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID46943534
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCc1ccccc1Oc1nc(NC(C)C)nc2ccsc12
InChIInChI=1S/C17H19N3OS/c1-4-12-7-5-6-8-14(12)21-16-15-13(9-10-22-15)19-17(20-16)18-11(2)3/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyGTNUQDRFPPBQKE-UHFFFAOYSA-N
XLogP4.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine (CID 46943534) is 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine is CCc1ccccc1Oc1nc(NC(C)C)nc2ccsc12.
What is the InChIKey of 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is GTNUQDRFPPBQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-12-7-5-6-8-14(12)21-16-15-13(9-10-22-15)19-17(20-16)18-11(2)3/h5-11H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine?
4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 46943534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).