N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine

C11H16FN3OS — CID 106497884

IUPACN-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCC2CCCO2)n1
InChIInChI=1S/C11H16FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyFIMBTXSAQXDPPE-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine (PubChem CID 106497884) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
PubChem CID106497884
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC NameN-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(SCC2CCCO2)n1
InChIInChI=1S/C11H16FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyFIMBTXSAQXDPPE-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
4-(oxolan-2-ylmethylsulfanyl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106497930
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 115479565
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine (CID 106497884) is N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine is CCNc1ncc(F)c(SCC2CCCO2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The InChIKey is FIMBTXSAQXDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3OS/c1-2-13-11-14-6-9(12)10(15-11)17-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine has a molecular weight of 257.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 106497884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).