1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol

C8H11ClN2O — CID 177012608

IUPAC1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol
SMILESCCc1nc(Cl)ncc1C(C)O
InChIInChI=1S/C8H11ClN2O/c1-3-7-6(5(2)12)4-10-8(9)11-7/h4-5,12H,3H2,1-2H3
InChIKeyNHNUBSMFIJEDDJ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.75
Rot. Bonds2

About 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol

1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol (PubChem CID 177012608) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol
PubChem CID177012608
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol
SMILESCCc1nc(Cl)ncc1C(C)O
InChIInChI=1S/C8H11ClN2O/c1-3-7-6(5(2)12)4-10-8(9)11-7/h4-5,12H,3H2,1-2H3
InChIKeyNHNUBSMFIJEDDJ-UHFFFAOYSA-N
XLogP1.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-6-ethylpyrazin-2-yl)ethanol
CID 162520398
(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol
CID 130927837
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
CID 157267746
(1R)-1-(2-chloropyrimidin-4-yl)ethanol
CID 124566529
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanol
CID 146273664
2-chloro-5-ethylpyrimidine
CID 3572763
2,4-dichloro-5-ethoxypyrimidine
CID 15565270
1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 79072496
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
CID 53385528
1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
CID 158510317
2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
CID 126590832

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol?
The IUPAC name of 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol (CID 177012608) is 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol is CCc1nc(Cl)ncc1C(C)O.
What is the InChIKey of 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol?
The InChIKey is NHNUBSMFIJEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-7-6(5(2)12)4-10-8(9)11-7/h4-5,12H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol?
1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 177012608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).