4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol

C11H20N4O2S — CID 114152250

IUPAC4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1cc(NC(CCO)COC)nc(SC)n1
InChIInChI=1S/C11H20N4O2S/c1-12-9-6-10(15-11(14-9)18-3)13-8(4-5-16)7-17-2/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISOLGSNAIWRRAH-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds8

About 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol

4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 114152250) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID114152250
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1cc(NC(CCO)COC)nc(SC)n1
InChIInChI=1S/C11H20N4O2S/c1-12-9-6-10(15-11(14-9)18-3)13-8(4-5-16)7-17-2/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISOLGSNAIWRRAH-UHFFFAOYSA-N
XLogP1.05
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 80780450
4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
CID 106163078
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 106157813
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol (CID 114152250) is 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol is CNc1cc(NC(CCO)COC)nc(SC)n1.
What is the InChIKey of 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is ISOLGSNAIWRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-12-9-6-10(15-11(14-9)18-3)13-8(4-5-16)7-17-2/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol?
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 114152250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).