2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol

C14H17N3O2 — CID 112691748

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
SMILESCOc1cc(C)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-10-8-13(19-2)17-14(15-10)16-12(9-18)11-6-4-3-5-7-11/h3-8,12,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyCBIXFLCXEXWFNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds5

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol (PubChem CID 112691748) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
PubChem CID112691748
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
SMILESCOc1cc(C)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-10-8-13(19-2)17-14(15-10)16-12(9-18)11-6-4-3-5-7-11/h3-8,12,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyCBIXFLCXEXWFNE-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-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol (CID 112691748) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol is COc1cc(C)nc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol?
The InChIKey is CBIXFLCXEXWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-13(19-2)17-14(15-10)16-12(9-18)11-6-4-3-5-7-11/h3-8,12,18H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol?
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol 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-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 112691748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).