4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C13H24N4O2S — CID 106163156

IUPAC4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CCO)COC)nc(SC)n1
InChIInChI=1S/C13H24N4O2S/c1-4-6-14-11-8-12(17-13(16-11)20-3)15-10(5-7-18)9-19-2/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyCIFKUULTOWGDGU-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.83
Rot. Bonds10

About 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 106163156) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID106163156
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CCO)COC)nc(SC)n1
InChIInChI=1S/C13H24N4O2S/c1-4-6-14-11-8-12(17-13(16-11)20-3)15-10(5-7-18)9-19-2/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyCIFKUULTOWGDGU-UHFFFAOYSA-N
XLogP1.83
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
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-N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80813692
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 106163156) is 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1cc(NC(CCO)COC)nc(SC)n1.
What is the InChIKey of 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is CIFKUULTOWGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-6-14-11-8-12(17-13(16-11)20-3)15-10(5-7-18)9-19-2/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 300.43 g/mol, XLogP of 1.83, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 106163156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).