2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide

C13H15N5O — CID 60874955

IUPAC2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ncccn1
InChIInChI=1S/C13H15N5O/c14-11-4-1-3-10(7-11)8-18(9-12(15)19)13-16-5-2-6-17-13/h1-7H,8-9,14H2,(H2,15,19)
InChIKeyHYYHMSGCRVRYES-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.55
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide

2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide (PubChem CID 60874955) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
PubChem CID60874955
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ncccn1
InChIInChI=1S/C13H15N5O/c14-11-4-1-3-10(7-11)8-18(9-12(15)19)13-16-5-2-6-17-13/h1-7H,8-9,14H2,(H2,15,19)
InChIKeyHYYHMSGCRVRYES-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-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 114476656
2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 43461218
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide (CID 60874955) is 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide is NC(=O)CN(Cc1cccc(N)c1)c1ncccn1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide?
The InChIKey is HYYHMSGCRVRYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-11-4-1-3-10(7-11)8-18(9-12(15)19)13-16-5-2-6-17-13/h1-7H,8-9,14H2,(H2,15,19).
What are the key properties of 2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide?
2-[(3-aminophenyl)methyl-pyrimidin-2-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-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide is sourced from PubChem (CID 60874955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).