N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

C15H18N4O — CID 3233229

IUPACN-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1-c1ccccc1C
InChIInChI=1S/C15H18N4O/c1-11-5-3-4-6-13(11)14-9-16-10-19-15(14)18-8-7-17-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyRHKDIBLCCCXJOM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds5

About N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 3233229) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID3233229
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncncc1-c1ccccc1C
InChIInChI=1S/C15H18N4O/c1-11-5-3-4-6-13(11)14-9-16-10-19-15(14)18-8-7-17-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyRHKDIBLCCCXJOM-UHFFFAOYSA-N
XLogP2.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
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

5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108893
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
2,4-Diamino-5-benzylpyrimidine
CID 81752
N-(4-{5-[4-(butanoylamino)phenyl]pyrimidin-2-yl}phenyl)butanamide
CID 1272696
5-Phenylpyrimidin-4-amine
CID 233337
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyrimidin-5-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895816
N-(cyanomethyl)-4-methyl-2-[3-(pyrimidin-5-yl)phenyl]pentanamide
CID 10902914
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
2-(2-Aminoethylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide
CID 9817349
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
5-[(3,4,5-Triethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13877973

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 3233229) is N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ncncc1-c1ccccc1C.
What is the InChIKey of N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is RHKDIBLCCCXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-5-3-4-6-13(11)14-9-16-10-19-15(14)18-8-7-17-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3233229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).