2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol

C14H17N3O2 — CID 116902239

IUPAC2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
SMILESCOc1ccc(C)cc1-c1ccnc(C(O)CN)n1
InChIInChI=1S/C14H17N3O2/c1-9-3-4-13(19-2)10(7-9)11-5-6-16-14(17-11)12(18)8-15/h3-7,12,18H,8,15H2,1-2H3
InChIKeyYSIHAUXYIVWQQO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol

2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol (PubChem CID 116902239) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
PubChem CID116902239
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol
SMILESCOc1ccc(C)cc1-c1ccnc(C(O)CN)n1
InChIInChI=1S/C14H17N3O2/c1-9-3-4-13(19-2)10(7-9)11-5-6-16-14(17-11)12(18)8-15/h3-7,12,18H,8,15H2,1-2H3
InChIKeyYSIHAUXYIVWQQO-UHFFFAOYSA-N
XLogP1.45
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901561
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
CID 116902289
(1S)-2-amino-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114007041
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol
CID 84658495
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol (CID 116902239) is 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol is COc1ccc(C)cc1-c1ccnc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol?
The InChIKey is YSIHAUXYIVWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-4-13(19-2)10(7-9)11-5-6-16-14(17-11)12(18)8-15/h3-7,12,18H,8,15H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol?
2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116902239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).