4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine

C14H17N3S — CID 80884832

IUPAC4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-3-15-14-16-11(2)9-13(17-14)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyUYPPONQEYOJPOL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.51
Rot. Bonds5

About 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine

4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 80884832) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID80884832
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-3-15-14-16-11(2)9-13(17-14)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyUYPPONQEYOJPOL-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-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-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891327
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
CID 31903464
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine (CID 80884832) is 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(SCc2ccccc2)n1.
What is the InChIKey of 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is UYPPONQEYOJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-15-14-16-11(2)9-13(17-14)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine?
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80884832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).