(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol

C17H23N3O4 — CID 95776964

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCOCc1nc(C)cc(NC[C@H](O)c2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H23N3O4/c1-11-7-16(20-17(19-11)10-22-2)18-9-14(21)13-8-12(23-3)5-6-15(13)24-4/h5-8,14,21H,9-10H2,1-4H3,(H,18,19,20)/t14-/m0/s1
InChIKeyCHSNNXXQISFSRN-AWEZNQCLSA-N
MW333.39 g/mol
LogP2.09
Rot. Bonds8

About (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol

(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 95776964) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID95776964
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCOCc1nc(C)cc(NC[C@H](O)c2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H23N3O4/c1-11-7-16(20-17(19-11)10-22-2)18-9-14(21)13-8-12(23-3)5-6-15(13)24-4/h5-8,14,21H,9-10H2,1-4H3,(H,18,19,20)/t14-/m0/s1
InChIKeyCHSNNXXQISFSRN-AWEZNQCLSA-N
XLogP2.09
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
CID 51943081
2-[[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyridine-4-carbonitrile
CID 125142126
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 48931327
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol
CID 97309083
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 95776964) is (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol is COCc1nc(C)cc(NC[C@H](O)c2cc(OC)ccc2OC)n1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is CHSNNXXQISFSRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-7-16(20-17(19-11)10-22-2)18-9-14(21)13-8-12(23-3)5-6-15(13)24-4/h5-8,14,21H,9-10H2,1-4H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol?
(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 333.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 95776964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).