2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol

C15H19N3O — CID 116895841

IUPAC2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C(O)CN)n1
InChIInChI=1S/C15H19N3O/c1-9-4-5-12(6-10(9)2)13-7-11(3)17-15(18-13)14(19)8-16/h4-7,14,19H,8,16H2,1-3H3
InChIKeyXUJXPJRXAKRXGU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol

2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol (PubChem CID 116895841) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
PubChem CID116895841
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C(O)CN)n1
InChIInChI=1S/C15H19N3O/c1-9-4-5-12(6-10(9)2)13-7-11(3)17-15(18-13)14(19)8-16/h4-7,14,19H,8,16H2,1-3H3
InChIKeyXUJXPJRXAKRXGU-UHFFFAOYSA-N
XLogP2.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116895876
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116896429
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol (CID 116895841) is 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol is Cc1cc(-c2ccc(C)c(C)c2)nc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol?
The InChIKey is XUJXPJRXAKRXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-4-5-12(6-10(9)2)13-7-11(3)17-15(18-13)14(19)8-16/h4-7,14,19H,8,16H2,1-3H3.
What are the key properties of 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol?
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol has a molecular weight of 257.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol is sourced from PubChem (CID 116895841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).