6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine

C19H19N3S — CID 46889064

IUPAC6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCCc2ccccc2)n1
InChIInChI=1S/C19H19N3S/c20-18-14-17(13-16-9-5-2-6-10-16)21-19(22-18)23-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H2,20,21,22)
InChIKeyZUNIAPIFGHGCPV-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.98
Rot. Bonds6

About 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine

6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine (PubChem CID 46889064) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine
PubChem CID46889064
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCCc2ccccc2)n1
InChIInChI=1S/C19H19N3S/c20-18-14-17(13-16-9-5-2-6-10-16)21-19(22-18)23-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H2,20,21,22)
InChIKeyZUNIAPIFGHGCPV-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
N,N'-dibenzyl-6-methylpyrimidine-2,4-diamine
CID 697225
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 44816742
6-Benzyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861690
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
2-(2-Naphthylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 470503
N4-benzyl-6-methyl-N2-phenyl-pyrimidine-2,4-diamine
CID 5276763

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine (CID 46889064) is 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine is Nc1cc(Cc2ccccc2)nc(SCCc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZUNIAPIFGHGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c20-18-14-17(13-16-9-5-2-6-10-16)21-19(22-18)23-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H2,20,21,22).
What are the key properties of 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine?
6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine has a molecular weight of 321.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(2-phenylethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 46889064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).