2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide

C14H17N5O — CID 62700876

IUPAC2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ncccn1)Cc1ccccc1N
InChIInChI=1S/C14H17N5O/c15-12-5-2-1-4-11(12)8-19(9-13(16)20)10-14-17-6-3-7-18-14/h1-7H,8-10,15H2,(H2,16,20)
InChIKeySQJXHCWTOZVBDG-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.55
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide

2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide (PubChem CID 62700876) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
PubChem CID62700876
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ncccn1)Cc1ccccc1N
InChIInChI=1S/C14H17N5O/c15-12-5-2-1-4-11(12)8-19(9-13(16)20)10-14-17-6-3-7-18-14/h1-7H,8-10,15H2,(H2,16,20)
InChIKeySQJXHCWTOZVBDG-UHFFFAOYSA-N
XLogP0.55
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
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-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 43461333
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(2-aminophenyl)methyl-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381
2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
CID 61253793
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799
2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253080
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide (CID 62700876) is 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide is NC(=O)CN(Cc1ncccn1)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide?
The InChIKey is SQJXHCWTOZVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-12-5-2-1-4-11(12)8-19(9-13(16)20)10-14-17-6-3-7-18-14/h1-7H,8-10,15H2,(H2,16,20).
What are the key properties of 2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide?
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide has a molecular weight of 271.32 g/mol, XLogP of 0.55, 6 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-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 62700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).