3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

C13H24N4OS — CID 106163392

IUPAC3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCCc1nc(NC)c(C)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-11-16-12(14-4)8(2)13(17-11)15-9(3)10(7-18)19-5/h9-10,18H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyAVFXRYPYESQUDV-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.91
Rot. Bonds7

About 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163392) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163392
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCCc1nc(NC)c(C)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-11-16-12(14-4)8(2)13(17-11)15-9(3)10(7-18)19-5/h9-10,18H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyAVFXRYPYESQUDV-UHFFFAOYSA-N
XLogP1.91
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163431
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163416
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163694
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80990351
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853
2-methylsulfanyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]butan-1-ol
CID 106162580
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
6-(2,2-dimethylhydrazinyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 83026946

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163392) is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is CCc1nc(NC)c(C)c(NC(C)C(CO)SC)n1.
What is the InChIKey of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is AVFXRYPYESQUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-11-16-12(14-4)8(2)13(17-11)15-9(3)10(7-18)19-5/h9-10,18H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 284.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).