2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide

C21H24N6O — CID 71800128

IUPAC2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCC(C(=O)NCCNc1cc(Nc2ccccn2)ncn1)c1ccccc1
InChIInChI=1S/C21H24N6O/c1-2-17(16-8-4-3-5-9-16)21(28)24-13-12-23-19-14-20(26-15-25-19)27-18-10-6-7-11-22-18/h3-11,14-15,17H,2,12-13H2,1H3,(H,24,28)(H2,22,23,25,26,27)
InChIKeyIUYCWOMXHQENNR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.34
Rot. Bonds9

About 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide

2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide (PubChem CID 71800128) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
PubChem CID71800128
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCC(C(=O)NCCNc1cc(Nc2ccccn2)ncn1)c1ccccc1
InChIInChI=1S/C21H24N6O/c1-2-17(16-8-4-3-5-9-16)21(28)24-13-12-23-19-14-20(26-15-25-19)27-18-10-6-7-11-22-18/h3-11,14-15,17H,2,12-13H2,1H3,(H,24,28)(H2,22,23,25,26,27)
InChIKeyIUYCWOMXHQENNR-UHFFFAOYSA-N
XLogP3.34
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylbutanamide
CID 122328204
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 122314294
(E)-3-(2-methylphenyl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]prop-2-enamide
CID 122314391
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122314258
1-(4-methoxy-2-methylphenyl)-3-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 71800240
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122314281
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide
CID 122314351
6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115263939
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide (CID 71800128) is 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide is CCC(C(=O)NCCNc1cc(Nc2ccccn2)ncn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The InChIKey is IUYCWOMXHQENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-17(16-8-4-3-5-9-16)21(28)24-13-12-23-19-14-20(26-15-25-19)27-18-10-6-7-11-22-18/h3-11,14-15,17H,2,12-13H2,1H3,(H,24,28)(H2,22,23,25,26,27).
What are the key properties of 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide has a molecular weight of 376.46 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide is sourced from PubChem (CID 71800128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).