2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol

C14H17N3O2 — CID 133375715

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
SMILESCOc1ccnc(NCC(O)c2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-11(8-10)12(18)9-16-14-15-7-6-13(17-14)19-2/h3-8,12,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyKJAAJOODZFFULD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds5

About 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol

2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol (PubChem CID 133375715) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
PubChem CID133375715
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
SMILESCOc1ccnc(NCC(O)c2cccc(C)c2)n1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-11(8-10)12(18)9-16-14-15-7-6-13(17-14)19-2/h3-8,12,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyKJAAJOODZFFULD-UHFFFAOYSA-N
XLogP1.94
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylpyrimidin-2-yl)amino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 133304652
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
2-[(6-ethoxypyrazin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375710
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol (CID 133375715) is 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol is COc1ccnc(NCC(O)c2cccc(C)c2)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol?
The InChIKey is KJAAJOODZFFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-3-5-11(8-10)12(18)9-16-14-15-7-6-13(17-14)19-2/h3-8,12,18H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol?
2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 133375715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).