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

C14H13N3S — CID 2808903

IUPACN-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3ccsc23)cc1
InChIInChI=1S/C14H13N3S/c1-2-4-11(5-3-1)6-8-15-14-13-12(7-9-18-13)16-10-17-14/h1-5,7,9-10H,6,8H2,(H,15,16,17)
InChIKeyYCMCCSCHSKSFOO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.35
Rot. Bonds4

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

N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 2808903) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID2808903
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3ccsc23)cc1
InChIInChI=1S/C14H13N3S/c1-2-4-11(5-3-1)6-8-15-14-13-12(7-9-18-13)16-10-17-14/h1-5,7,9-10H,6,8H2,(H,15,16,17)
InChIKeyYCMCCSCHSKSFOO-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 2808903) is N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine is c1ccc(CCNc2ncnc3ccsc23)cc1.
What is the InChIKey of N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YCMCCSCHSKSFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-4-11(5-3-1)6-8-15-14-13-12(7-9-18-13)16-10-17-14/h1-5,7,9-10H,6,8H2,(H,15,16,17).
What are the key properties of N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2808903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).