1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

C14H24N2O3S — CID 106992487

IUPAC1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCC(C)OCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H24N2O3S/c1-9(6-18-5)19-7-13(17)8-20-14-15-11(3)10(2)12(4)16-14/h9,13,17H,6-8H2,1-5H3
InChIKeyODTLDVXYXNLGPN-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.91
Rot. Bonds8

About 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 106992487) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID106992487
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCC(C)OCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H24N2O3S/c1-9(6-18-5)19-7-13(17)8-20-14-15-11(3)10(2)12(4)16-14/h9,13,17H,6-8H2,1-5H3
InChIKeyODTLDVXYXNLGPN-UHFFFAOYSA-N
XLogP1.91
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol with MolForge

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Related Compounds

1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043787
1-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990963
1-(4-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992332
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
4-ethyl-3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 106992457
1-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990966
1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992357
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043291
1-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993084
1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404
1-(2-amino-5-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991017

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 106992487) is 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is COCC(C)OCC(O)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is ODTLDVXYXNLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9(6-18-5)19-7-13(17)8-20-14-15-11(3)10(2)12(4)16-14/h9,13,17H,6-8H2,1-5H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 300.42 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 106992487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).