4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine

C19H26N4S — CID 144818045

IUPAC4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nc(SCCN)cc(C2CCC2c2ccccc2)n1
InChIInChI=1S/C19H26N4S/c1-13(2)21-19-22-17(12-18(23-19)24-11-10-20)16-9-8-15(16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,20H2,1-2H3,(H,21,22,23)
InChIKeyRYOSSDYRSMIHRI-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.01
Rot. Bonds7

About 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine

4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 144818045) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID144818045
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nc(SCCN)cc(C2CCC2c2ccccc2)n1
InChIInChI=1S/C19H26N4S/c1-13(2)21-19-22-17(12-18(23-19)24-11-10-20)16-9-8-15(16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,20H2,1-2H3,(H,21,22,23)
InChIKeyRYOSSDYRSMIHRI-UHFFFAOYSA-N
XLogP4.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine (CID 144818045) is 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nc(SCCN)cc(C2CCC2c2ccccc2)n1.
What is the InChIKey of 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is RYOSSDYRSMIHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-13(2)21-19-22-17(12-18(23-19)24-11-10-20)16-9-8-15(16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,20H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine?
4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 342.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfanyl)-6-(2-phenylcyclobutyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 144818045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).