N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide

C22H25FN6O — CID 58521681

IUPACN-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN6O/c1-15(17-3-5-18(23)6-4-17)11-22-28-19(12-20-14-24-7-8-26-20)13-21(29-22)27-10-9-25-16(2)30/h3-8,13-15H,9-12H2,1-2H3,(H,25,30)(H,27,28,29)/t15-/m1/s1
InChIKeyCLWMGXAJGNWPFG-OAHLLOKOSA-N
MW408.48 g/mol
LogP2.89
Rot. Bonds9

About N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 58521681) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID58521681
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC NameN-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN6O/c1-15(17-3-5-18(23)6-4-17)11-22-28-19(12-20-14-24-7-8-26-20)13-21(29-22)27-10-9-25-16(2)30/h3-8,13-15H,9-12H2,1-2H3,(H,25,30)(H,27,28,29)/t15-/m1/s1
InChIKeyCLWMGXAJGNWPFG-OAHLLOKOSA-N
XLogP2.89
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
CID 162101229
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
CID 58521688
(3S,4S)-1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 58521641
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521764
2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 159266398
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521701
2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58521790
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
CID 58521649
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
CID 58521805
(Z)-but-2-enedioic acid;2-[(2R)-2-(4-fluorophenyl)propyl]-4-(pyrazin-2-ylmethyl)-6-(1H-pyrazol-4-yl)pyrimidine
CID 169424603
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-2-methoxy-1,3-thiazole
CID 58521771
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 58521681) is N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is CLWMGXAJGNWPFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15(17-3-5-18(23)6-4-17)11-22-28-19(12-20-14-24-7-8-26-20)13-21(29-22)27-10-9-25-16(2)30/h3-8,13-15H,9-12H2,1-2H3,(H,25,30)(H,27,28,29)/t15-/m1/s1.
What are the key properties of N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 58521681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).