[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol

C12H18ClN3O2 — CID 102933974

IUPAC[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCc1c(Cl)ncnc1N1CC(C)OC(CO)C1
InChIInChI=1S/C12H18ClN3O2/c1-3-10-11(13)14-7-15-12(10)16-4-8(2)18-9(5-16)6-17/h7-9,17H,3-6H2,1-2H3
InChIKeyQZNXBDJSZVNVEC-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.28
Rot. Bonds3

About [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol

[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102933974) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102933974
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
SMILESCCc1c(Cl)ncnc1N1CC(C)OC(CO)C1
InChIInChI=1S/C12H18ClN3O2/c1-3-10-11(13)14-7-15-12(10)16-4-8(2)18-9(5-16)6-17/h7-9,17H,3-6H2,1-2H3
InChIKeyQZNXBDJSZVNVEC-UHFFFAOYSA-N
XLogP1.28
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959798
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 55230444
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
[4-(6-chloro-5-ethylpyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81208550
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939074
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136981221
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol (CID 102933974) is [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol is CCc1c(Cl)ncnc1N1CC(C)OC(CO)C1.
What is the InChIKey of [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is QZNXBDJSZVNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-10-11(13)14-7-15-12(10)16-4-8(2)18-9(5-16)6-17/h7-9,17H,3-6H2,1-2H3.
What are the key properties of [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol?
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 271.75 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102933974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).