3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide

C20H28N6O — CID 122314111

IUPAC3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C20H28N6O/c27-20(10-9-16-6-2-1-3-7-16)23-13-12-22-18-14-19(25-15-24-18)26-17-8-4-5-11-21-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,23,27)(H2,21,22,24,25,26)
InChIKeyCTYFLSPLQLAHDK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds9

About 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide

3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide (PubChem CID 122314111) has the molecular formula C20H28N6O and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
PubChem CID122314111
Molecular FormulaC20H28N6O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1cc(Nc2ccccn2)ncn1
InChIInChI=1S/C20H28N6O/c27-20(10-9-16-6-2-1-3-7-16)23-13-12-22-18-14-19(25-15-24-18)26-17-8-4-5-11-21-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,23,27)(H2,21,22,24,25,26)
InChIKeyCTYFLSPLQLAHDK-UHFFFAOYSA-N
XLogP3.50
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
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

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 121072377
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
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]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
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
(E)-3-(2-methylphenyl)-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]prop-2-enamide
CID 122314391

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide (CID 122314111) is 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide is O=C(CCC1CCCCC1)NCCNc1cc(Nc2ccccn2)ncn1.
What is the InChIKey of 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide?
The InChIKey is CTYFLSPLQLAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(10-9-16-6-2-1-3-7-16)23-13-12-22-18-14-19(25-15-24-18)26-17-8-4-5-11-21-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide?
3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122314111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).