2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol

C16H20ClN3O2 — CID 133321810

IUPAC2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCc1c(Cl)nc(C)nc1NCC(O)c1cccc(OC)c1
InChIInChI=1S/C16H20ClN3O2/c1-4-13-15(17)19-10(2)20-16(13)18-9-14(21)11-6-5-7-12(8-11)22-3/h5-8,14,21H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyVEEIJFQTIMLUBK-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.15
Rot. Bonds6

About 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol

2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 133321810) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID133321810
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCc1c(Cl)nc(C)nc1NCC(O)c1cccc(OC)c1
InChIInChI=1S/C16H20ClN3O2/c1-4-13-15(17)19-10(2)20-16(13)18-9-14(21)11-6-5-7-12(8-11)22-3/h5-8,14,21H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyVEEIJFQTIMLUBK-UHFFFAOYSA-N
XLogP3.15
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81134083
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 71125354
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375786
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol (CID 133321810) is 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol is CCc1c(Cl)nc(C)nc1NCC(O)c1cccc(OC)c1.
What is the InChIKey of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is VEEIJFQTIMLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-4-13-15(17)19-10(2)20-16(13)18-9-14(21)11-6-5-7-12(8-11)22-3/h5-8,14,21H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol?
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 321.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 133321810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).