N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine

C16H20N4S — CID 46891061

IUPACN-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CCNc2ccnc(N3CCSCC3)n2)cc1
InChIInChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyLNJWYRWYXZPMBQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.68
Rot. Bonds5

About N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine

N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 46891061) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID46891061
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CCNc2ccnc(N3CCSCC3)n2)cc1
InChIInChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyLNJWYRWYXZPMBQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine (CID 46891061) is N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine is c1ccc(CCNc2ccnc(N3CCSCC3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is LNJWYRWYXZPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19).
What are the key properties of N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine?
N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 46891061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).