2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol

C11H18FN3OS — CID 133421053

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCCc1ncnc(NC(CO)CCSC)c1F
InChIInChI=1S/C11H18FN3OS/c1-3-9-10(12)11(14-7-13-9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQWYSBZXRKJGJFT-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.70
Rot. Bonds7

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol (PubChem CID 133421053) has the molecular formula C11H18FN3OS and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
PubChem CID133421053
Molecular FormulaC11H18FN3OS
Molecular Weight259.35 g/mol
Exact Mass259.12
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCCc1ncnc(NC(CO)CCSC)c1F
InChIInChI=1S/C11H18FN3OS/c1-3-9-10(12)11(14-7-13-9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQWYSBZXRKJGJFT-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

6-ethyl-5-fluoro-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 113344324
6-ethyl-5-fluoro-N-(8-methylsulfanyloctyl)pyrimidin-4-amine
CID 19892124
2-[(2-Chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol
CID 59708469
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
1-[[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 84592674
trans-(1R,2S)-1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97608665
cis-(1S,2S)-1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97608666
cis-(1R,2R)-1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97608667
trans-(1S,2R)-1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97608668
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 100672941
6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102809658
N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 103270007

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol (CID 133421053) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol is CCc1ncnc(NC(CO)CCSC)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is QWYSBZXRKJGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3OS/c1-3-9-10(12)11(14-7-13-9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 133421053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).