1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

C14H23N3OS — CID 133461626

IUPAC1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(CC)nc(C)n1
InChIInChI=1S/C14H23N3OS/c1-4-11-8-13(17-10(3)16-11)15-9-14(18)7-6-12(14)19-5-2/h8,12,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyQTYDDPUSWQKPFA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.41
Rot. Bonds6

About 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol

1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 133461626) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID133461626
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(CC)nc(C)n1
InChIInChI=1S/C14H23N3OS/c1-4-11-8-13(17-10(3)16-11)15-9-14(18)7-6-12(14)19-5-2/h8,12,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyQTYDDPUSWQKPFA-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 133461626) is 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is CCSC1CCC1(O)CNc1cc(CC)nc(C)n1.
What is the InChIKey of 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is QTYDDPUSWQKPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-11-8-13(17-10(3)16-11)15-9-14(18)7-6-12(14)19-5-2/h8,12,18H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol?
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 133461626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).