3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol

C11H18N2OS — CID 66137882

IUPAC3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCCCc1cc(SC(C)CCO)ncn1
InChIInChI=1S/C11H18N2OS/c1-3-4-10-7-11(13-8-12-10)15-9(2)5-6-14/h7-9,14H,3-6H2,1-2H3
InChIKeyHUSSXGDBTFWKFL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.29
Rot. Bonds6

About 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol

3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol (PubChem CID 66137882) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol
PubChem CID66137882
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol
SMILESCCCc1cc(SC(C)CCO)ncn1
InChIInChI=1S/C11H18N2OS/c1-3-4-10-7-11(13-8-12-10)15-9(2)5-6-14/h7-9,14H,3-6H2,1-2H3
InChIKeyHUSSXGDBTFWKFL-UHFFFAOYSA-N
XLogP2.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol (CID 66137882) is 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol is CCCc1cc(SC(C)CCO)ncn1.
What is the InChIKey of 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
The InChIKey is HUSSXGDBTFWKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-4-10-7-11(13-8-12-10)15-9(2)5-6-14/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol?
3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propylpyrimidin-4-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 66137882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).