N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C20H27FN6O — CID 110092346

IUPACN-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCNCc1cc(NC)nc(C2CCCN2CC(=O)Nc2cccc(F)c2C)n1
InChIInChI=1S/C20H27FN6O/c1-13-15(21)6-4-7-16(13)25-19(28)12-27-9-5-8-17(27)20-24-14(11-22-2)10-18(23-3)26-20/h4,6-7,10,17,22H,5,8-9,11-12H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyDFNBSVLQPDOEKT-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.46
Rot. Bonds7

About N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110092346) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID110092346
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCNCc1cc(NC)nc(C2CCCN2CC(=O)Nc2cccc(F)c2C)n1
InChIInChI=1S/C20H27FN6O/c1-13-15(21)6-4-7-16(13)25-19(28)12-27-9-5-8-17(27)20-24-14(11-22-2)10-18(23-3)26-20/h4,6-7,10,17,22H,5,8-9,11-12H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyDFNBSVLQPDOEKT-UHFFFAOYSA-N
XLogP2.46
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
2-(2-methoxyphenoxy)-1-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110092362
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47078017
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
3-[[1-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid
CID 110162219
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 110092346) is N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is CNCc1cc(NC)nc(C2CCCN2CC(=O)Nc2cccc(F)c2C)n1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is DFNBSVLQPDOEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-13-15(21)6-4-7-16(13)25-19(28)12-27-9-5-8-17(27)20-24-14(11-22-2)10-18(23-3)26-20/h4,6-7,10,17,22H,5,8-9,11-12H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2-[2-[4-(methylamino)-6-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110092346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).