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

C15H20N6O — CID 122314104

IUPACN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-5-15(22)18-9-8-17-13-10-14(20-11-19-13)21-12-6-3-4-7-16-12/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,18,22)(H2,16,17,19,20,21)
InChIKeyJOZIZCNTWXQRJH-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.94
Rot. Bonds8

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

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide (PubChem CID 122314104) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
PubChem CID122314104
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-5-15(22)18-9-8-17-13-10-14(20-11-19-13)21-12-6-3-4-7-16-12/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,18,22)(H2,16,17,19,20,21)
InChIKeyJOZIZCNTWXQRJH-UHFFFAOYSA-N
XLogP1.94
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.94
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

3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314111
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 71800128
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
(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
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide
CID 122314351
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 122314294
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122314281
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
1-(4-methoxy-2-methylphenyl)-3-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 71800240

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide (CID 122314104) is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide is CCCC(=O)NCCNc1cc(Nc2ccccn2)ncn1.
What is the InChIKey of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
The InChIKey is JOZIZCNTWXQRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-5-15(22)18-9-8-17-13-10-14(20-11-19-13)21-12-6-3-4-7-16-12/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,18,22)(H2,16,17,19,20,21).
What are the key properties of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide?
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide has a molecular weight of 300.37 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide is sourced from PubChem (CID 122314104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).