2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol

C10H18N4OS — CID 80780450

IUPAC2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(NC)nc(SC)n1
InChIInChI=1S/C10H18N4OS/c1-4-7(6-15)12-9-5-8(11-2)13-10(14-9)16-3/h5,7,15H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLREKMDNSWZTPBJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.42
Rot. Bonds6

About 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol

2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80780450) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID80780450
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(NC)nc(SC)n1
InChIInChI=1S/C10H18N4OS/c1-4-7(6-15)12-9-5-8(11-2)13-10(14-9)16-3/h5,7,15H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLREKMDNSWZTPBJ-UHFFFAOYSA-N
XLogP1.42
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol (CID 80780450) is 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol is CCC(CO)Nc1cc(NC)nc(SC)n1.
What is the InChIKey of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is LREKMDNSWZTPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-7(6-15)12-9-5-8(11-2)13-10(14-9)16-3/h5,7,15H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 242.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80780450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).