N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

C21H23FN6 — CID 95836145

IUPACN-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc([C@H]3CCCN3Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H23FN6/c1-14-10-15(2)25-21(24-14)27-20-12-23-11-18(26-20)19-8-5-9-28(19)13-16-6-3-4-7-17(16)22/h3-4,6-7,10-12,19H,5,8-9,13H2,1-2H3,(H,24,25,26,27)/t19-/m1/s1
InChIKeyOEUQSLYIQAJHEN-LJQANCHMSA-N
MW378.46 g/mol
LogP4.10
Rot. Bonds5

About N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 95836145) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID95836145
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC NameN-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc([C@H]3CCCN3Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H23FN6/c1-14-10-15(2)25-21(24-14)27-20-12-23-11-18(26-20)19-8-5-9-28(19)13-16-6-3-4-7-17(16)22/h3-4,6-7,10-12,19H,5,8-9,13H2,1-2H3,(H,24,25,26,27)/t19-/m1/s1
InChIKeyOEUQSLYIQAJHEN-LJQANCHMSA-N
XLogP4.10
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95836146
2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95842898
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955698
6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836361
2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269783
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 95836277
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 95836145) is N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3Cc3ccccc3F)n2)n1.
What is the InChIKey of N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is OEUQSLYIQAJHEN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN6/c1-14-10-15(2)25-21(24-14)27-20-12-23-11-18(26-20)19-8-5-9-28(19)13-16-6-3-4-7-17(16)22/h3-4,6-7,10-12,19H,5,8-9,13H2,1-2H3,(H,24,25,26,27)/t19-/m1/s1.
What are the key properties of N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 378.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95836145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).