2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide

C13H15N5O — CID 61253793

IUPAC2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)c1ccncn1
InChIInChI=1S/C13H15N5O/c14-11-4-2-1-3-10(11)7-18(8-12(15)19)13-5-6-16-9-17-13/h1-6,9H,7-8,14H2,(H2,15,19)
InChIKeyVKYKWPXNDDDTHG-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide

2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide (PubChem CID 61253793) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
PubChem CID61253793
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)c1ccncn1
InChIInChI=1S/C13H15N5O/c14-11-4-2-1-3-10(11)7-18(8-12(15)19)13-5-6-16-9-17-13/h1-6,9H,7-8,14H2,(H2,15,19)
InChIKeyVKYKWPXNDDDTHG-UHFFFAOYSA-N
XLogP0.55
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713139
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide (CID 61253793) is 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide is NC(=O)CN(Cc1ccccc1N)c1ccncn1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide?
The InChIKey is VKYKWPXNDDDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-11-4-2-1-3-10(11)7-18(8-12(15)19)13-5-6-16-9-17-13/h1-6,9H,7-8,14H2,(H2,15,19).
What are the key properties of 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide?
2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide has a molecular weight of 257.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide is sourced from PubChem (CID 61253793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).