1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol

C12H18N2OS2 — CID 113299867

IUPAC1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C2SCCSC2C)ncc1C(C)O
InChIInChI=1S/C12H18N2OS2/c1-7-10(8(2)15)6-13-12(14-7)11-9(3)16-4-5-17-11/h6,8-9,11,15H,4-5H2,1-3H3
InChIKeyQMADVUKSZXVLAE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.75
Rot. Bonds2

About 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol

1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol (PubChem CID 113299867) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol
PubChem CID113299867
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C2SCCSC2C)ncc1C(C)O
InChIInChI=1S/C12H18N2OS2/c1-7-10(8(2)15)6-13-12(14-7)11-9(3)16-4-5-17-11/h6,8-9,11,15H,4-5H2,1-3H3
InChIKeyQMADVUKSZXVLAE-UHFFFAOYSA-N
XLogP2.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol
CID 103431480
5-bromo-4-chloro-2-(3-methyl-1,4-dithian-2-yl)pyrimidine
CID 115385596
1-[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 79974195
1-[2-(3,3-difluorocyclopentyl)-4-methylpyrimidin-5-yl]ethanol
CID 114216521
(1S)-1-[2-(1,1-dioxothiolan-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431589
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
1-[4-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]ethanol
CID 79088547
1-[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 106601994
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine
CID 65419793
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113299900
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 103431371

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol (CID 113299867) is 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol is Cc1nc(C2SCCSC2C)ncc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol?
The InChIKey is QMADVUKSZXVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-7-10(8(2)15)6-13-12(14-7)11-9(3)16-4-5-17-11/h6,8-9,11,15H,4-5H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol?
1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol has a molecular weight of 270.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 113299867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).