6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine

C13H17N3OS — CID 80990415

IUPAC6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(SCc2ccco2)n1
InChIInChI=1S/C13H17N3OS/c1-3-5-11-15-12(14)9(2)13(16-11)18-8-10-6-4-7-17-10/h4,6-7H,3,5,8H2,1-2H3,(H2,14,15,16)
InChIKeyAAMPABYKNXRNKB-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.21
Rot. Bonds5

About 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine

6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80990415) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80990415
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(SCc2ccco2)n1
InChIInChI=1S/C13H17N3OS/c1-3-5-11-15-12(14)9(2)13(16-11)18-8-10-6-4-7-17-10/h4,6-7H,3,5,8H2,1-2H3,(H2,14,15,16)
InChIKeyAAMPABYKNXRNKB-UHFFFAOYSA-N
XLogP3.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-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-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80991069
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
1-chloro-4-(furan-2-ylmethylsulfanyl)phthalazine
CID 62142545
4-chloro-6-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-2-propylpyrimidine
CID 80971056
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80990415) is 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(SCc2ccco2)n1.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is AAMPABYKNXRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-5-11-15-12(14)9(2)13(16-11)18-8-10-6-4-7-17-10/h4,6-7H,3,5,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80990415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).