3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol

C9H14N2O3S — CID 115355266

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCOc1cc(OC)nc(SCCCO)n1
InChIInChI=1S/C9H14N2O3S/c1-13-7-6-8(14-2)11-9(10-7)15-5-3-4-12/h6,12H,3-5H2,1-2H3
InChIKeyZFKZITBMBNVLPS-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.97
Rot. Bonds6

About 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol

3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol (PubChem CID 115355266) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol
PubChem CID115355266
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCOc1cc(OC)nc(SCCCO)n1
InChIInChI=1S/C9H14N2O3S/c1-13-7-6-8(14-2)11-9(10-7)15-5-3-4-12/h6,12H,3-5H2,1-2H3
InChIKeyZFKZITBMBNVLPS-UHFFFAOYSA-N
XLogP0.97
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
4-(4,6-diaminopyrimidin-2-yl)sulfanylbutan-1-ol
CID 61297348
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
5-(4-amino-6-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 60613840
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
CID 3653479
3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpentan-2-one
CID 18966272
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethylpentan-1-ol
CID 18966120
3-[[5-[3-(3-hydroxypropylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]propan-1-ol
CID 155541037
2-[1-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
CID 113292883
(2R)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoic acid
CID 820742
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
3-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbutan-1-ol
CID 67842640

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol (CID 115355266) is 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol is COc1cc(OC)nc(SCCCO)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol?
The InChIKey is ZFKZITBMBNVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-13-7-6-8(14-2)11-9(10-7)15-5-3-4-12/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol?
3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol has a molecular weight of 230.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 115355266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).