N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide

C13H14N4O — CID 55110274

IUPACN-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H14N4O/c1-10(18)17-13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyXYEMEWYLWPHXQE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.05
Rot. Bonds4

About N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide

N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide (PubChem CID 55110274) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
PubChem CID55110274
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H14N4O/c1-10(18)17-13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyXYEMEWYLWPHXQE-UHFFFAOYSA-N
XLogP2.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
methyl 3-(pyrimidin-5-ylmethylamino)benzoate
CID 62758580
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
3-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62758794
3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
CID 115376077
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759745
N-[3-[(2,3,6-trichlorophenyl)methylamino]phenyl]acetamide
CID 43761409
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide (CID 55110274) is N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide is CC(=O)Nc1cccc(NCc2cncnc2)c1.
What is the InChIKey of N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The InChIKey is XYEMEWYLWPHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(18)17-13-4-2-3-12(5-13)16-8-11-6-14-9-15-7-11/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 55110274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).