N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

C13H14N4O — CID 31658784

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c18-12(11-5-2-1-3-6-11)14-9-10-17-13-15-7-4-8-16-13/h1-8H,9-10H2,(H,14,18)(H,15,16,17)
InChIKeyQAVYWECPGDPWRH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 31658784) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]benzamide
PubChem CID31658784
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c18-12(11-5-2-1-3-6-11)14-9-10-17-13-15-7-4-8-16-13/h1-8H,9-10H2,(H,14,18)(H,15,16,17)
InChIKeyQAVYWECPGDPWRH-UHFFFAOYSA-N
XLogP1.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-pyrimidin-2-ylbenzamide
CID 638481
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
1-[(1-phenylcyclopropyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56814220
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (CID 31658784) is N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is O=C(NCCNc1ncccn1)c1ccccc1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is QAVYWECPGDPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-12(11-5-2-1-3-6-11)14-9-10-17-13-15-7-4-8-16-13/h1-8H,9-10H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 31658784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).