2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol

C14H17N3O — CID 137013043

IUPAC2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccccc2O)nc(C)c1CCN
InChIInChI=1S/C14H17N3O/c1-9-11(7-8-15)10(2)17-14(16-9)12-5-3-4-6-13(12)18/h3-6,18H,7-8,15H2,1-2H3
InChIKeySNIJXEUVMWAXQE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds3

About 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol

2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol (PubChem CID 137013043) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
PubChem CID137013043
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccccc2O)nc(C)c1CCN
InChIInChI=1S/C14H17N3O/c1-9-11(7-8-15)10(2)17-14(16-9)12-5-3-4-6-13(12)18/h3-6,18H,7-8,15H2,1-2H3
InChIKeySNIJXEUVMWAXQE-UHFFFAOYSA-N
XLogP1.97
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013044
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
CID 82021867
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine
CID 62746300
2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
CID 63950493
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647
2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine
CID 79218553
2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113398737
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol (CID 137013043) is 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol is Cc1nc(-c2ccccc2O)nc(C)c1CCN.
What is the InChIKey of 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The InChIKey is SNIJXEUVMWAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-11(7-8-15)10(2)17-14(16-9)12-5-3-4-6-13(12)18/h3-6,18H,7-8,15H2,1-2H3.
What are the key properties of 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol has a molecular weight of 243.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol is sourced from PubChem (CID 137013043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).