2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide

C15H18N4O2 — CID 62114945

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN(CCO)Cc1ccccc1)Nc1ncccn1
InChIInChI=1S/C15H18N4O2/c20-10-9-19(11-13-5-2-1-3-6-13)12-14(21)18-15-16-7-4-8-17-15/h1-8,20H,9-12H2,(H,16,17,18,21)
InChIKeyICUUGXMLDUKHQO-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.91
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide

2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide (PubChem CID 62114945) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
PubChem CID62114945
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN(CCO)Cc1ccccc1)Nc1ncccn1
InChIInChI=1S/C15H18N4O2/c20-10-9-19(11-13-5-2-1-3-6-13)12-14(21)18-15-16-7-4-8-17-15/h1-8,20H,9-12H2,(H,16,17,18,21)
InChIKeyICUUGXMLDUKHQO-UHFFFAOYSA-N
XLogP0.91
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 111461877
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
N-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 60686355

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide (CID 62114945) is 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide is O=C(CN(CCO)Cc1ccccc1)Nc1ncccn1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide?
The InChIKey is ICUUGXMLDUKHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-10-9-19(11-13-5-2-1-3-6-13)12-14(21)18-15-16-7-4-8-17-15/h1-8,20H,9-12H2,(H,16,17,18,21).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide has a molecular weight of 286.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 62114945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).