N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C14H13N3S — CID 3991439

IUPACN-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H13N3S/c1-10(11-5-3-2-4-6-11)17-13-12-7-8-18-14(12)16-9-15-13/h2-10H,1H3,(H,15,16,17)
InChIKeyPKUUIPIUCXLTDX-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.86
Rot. Bonds3

About N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 3991439) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID3991439
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C14H13N3S/c1-10(11-5-3-2-4-6-11)17-13-12-7-8-18-14(12)16-9-15-13/h2-10H,1H3,(H,15,16,17)
InChIKeyPKUUIPIUCXLTDX-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 3991439) is N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PKUUIPIUCXLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10(11-5-3-2-4-6-11)17-13-12-7-8-18-14(12)16-9-15-13/h2-10H,1H3,(H,15,16,17).
What are the key properties of N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3991439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).