N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine

C12H15N3OS — CID 80893163

IUPACN-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-3-13-12-14-9(2)7-11(15-12)17-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyWWLBPEUVIUMVAM-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine

N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine (PubChem CID 80893163) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
PubChem CID80893163
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-3-13-12-14-9(2)7-11(15-12)17-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyWWLBPEUVIUMVAM-UHFFFAOYSA-N
XLogP3.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
2-N-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 80803462
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine (CID 80893163) is N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(SCc2ccco2)n1.
What is the InChIKey of N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine?
The InChIKey is WWLBPEUVIUMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-13-12-14-9(2)7-11(15-12)17-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine?
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80893163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).