5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C16H17N3S2 — CID 62189072

IUPAC5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCSCc1nc(N)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C16H17N3S2/c1-2-8-20-10-13-18-15(17)14-12(9-21-16(14)19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,17,18,19)
InChIKeyIFTYUVWQCCJXOA-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.58
Rot. Bonds5

About 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189072) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189072
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC Name5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCSCc1nc(N)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C16H17N3S2/c1-2-8-20-10-13-18-15(17)14-12(9-21-16(14)19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,17,18,19)
InChIKeyIFTYUVWQCCJXOA-UHFFFAOYSA-N
XLogP4.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62189072) is 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCCSCc1nc(N)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IFTYUVWQCCJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-2-8-20-10-13-18-15(17)14-12(9-21-16(14)19-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,17,18,19).
What are the key properties of 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).