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

C16H20ClN3O — CID 133375786

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
SMILESCCc1nc(Cl)c(C)c(NCC(O)c2cccc(C)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-14-19-15(17)11(3)16(20-14)18-9-13(21)12-7-5-6-10(2)8-12/h5-8,13,21H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyWHELYFZXJOZYEI-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.45
Rot. Bonds5

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

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol (PubChem CID 133375786) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
PubChem CID133375786
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
SMILESCCc1nc(Cl)c(C)c(NCC(O)c2cccc(C)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-14-19-15(17)11(3)16(20-14)18-9-13(21)12-7-5-6-10(2)8-12/h5-8,13,21H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyWHELYFZXJOZYEI-UHFFFAOYSA-N
XLogP3.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)ethanol
CID 133321810
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol (CID 133375786) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol is CCc1nc(Cl)c(C)c(NCC(O)c2cccc(C)c2)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol?
The InChIKey is WHELYFZXJOZYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-14-19-15(17)11(3)16(20-14)18-9-13(21)12-7-5-6-10(2)8-12/h5-8,13,21H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol has a molecular weight of 305.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 133375786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).