N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16N4OS — CID 2525652

IUPACN-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc(N3CCOCC3)cc2)c2ccsc2n1
InChIInChI=1S/C16H16N4OS/c1-3-13(20-6-8-21-9-7-20)4-2-12(1)19-15-14-5-10-22-16(14)18-11-17-15/h1-5,10-11H,6-9H2,(H,17,18,19)
InChIKeyJFJFKBIQVVEVGV-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.27
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2525652) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2525652
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc(N3CCOCC3)cc2)c2ccsc2n1
InChIInChI=1S/C16H16N4OS/c1-3-13(20-6-8-21-9-7-20)4-2-12(1)19-15-14-5-10-22-16(14)18-11-17-15/h1-5,10-11H,6-9H2,(H,17,18,19)
InChIKeyJFJFKBIQVVEVGV-UHFFFAOYSA-N
XLogP3.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2525652) is N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is c1nc(Nc2ccc(N3CCOCC3)cc2)c2ccsc2n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JFJFKBIQVVEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-3-13(20-6-8-21-9-7-20)4-2-12(1)19-15-14-5-10-22-16(14)18-11-17-15/h1-5,10-11H,6-9H2,(H,17,18,19).
What are the key properties of N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2525652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).