4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine

C15H15N3OS — CID 103332428

IUPAC4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCc1ccc(Oc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C15H15N3OS/c1-2-3-10-4-6-11(7-5-10)19-13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,2-3H2,1H3,(H2,16,17,18)
InChIKeyIXRACZALRSUUEZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.02
Rot. Bonds4

About 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine

4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332428) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332428
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCc1ccc(Oc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C15H15N3OS/c1-2-3-10-4-6-11(7-5-10)19-13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,2-3H2,1H3,(H2,16,17,18)
InChIKeyIXRACZALRSUUEZ-UHFFFAOYSA-N
XLogP4.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332428) is 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine is CCCc1ccc(Oc2nc(N)nc3sccc23)cc1.
What is the InChIKey of 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IXRACZALRSUUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-3-10-4-6-11(7-5-10)19-13-12-8-9-20-14(12)18-15(16)17-13/h4-9H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).