5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C15H15N3S — CID 23632055

IUPAC5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccccc3)c12
InChIInChI=1S/C15H15N3S/c1-11-9-19-15-13(11)14(17-10-18-15)16-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyXRUHLEJHIJUMPM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.65
Rot. Bonds4

About 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 23632055) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID23632055
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCCc3ccccc3)c12
InChIInChI=1S/C15H15N3S/c1-11-9-19-15-13(11)14(17-10-18-15)16-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyXRUHLEJHIJUMPM-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 23632055) is 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCCc3ccccc3)c12.
What is the InChIKey of 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XRUHLEJHIJUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-9-19-15-13(11)14(17-10-18-15)16-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17,18).
What are the key properties of 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23632055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).