1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

C18H22F2N4 — CID 11674361

IUPAC1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ncc(-c2c(F)cc(CN3CCC(N(C)C)C3)cc2F)cn1
InChIInChI=1S/C18H22F2N4/c1-12-21-8-14(9-22-12)18-16(19)6-13(7-17(18)20)10-24-5-4-15(11-24)23(2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyMGEILIWHEJNGSL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.87
Rot. Bonds4

About 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 11674361) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID11674361
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ncc(-c2c(F)cc(CN3CCC(N(C)C)C3)cc2F)cn1
InChIInChI=1S/C18H22F2N4/c1-12-21-8-14(9-22-12)18-16(19)6-13(7-17(18)20)10-24-5-4-15(11-24)23(2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyMGEILIWHEJNGSL-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Related Compounds

N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
1-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706160
(3S)-1-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 141388859
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
1-[(2-bromo-4-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165132
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 11674361) is 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ncc(-c2c(F)cc(CN3CCC(N(C)C)C3)cc2F)cn1.
What is the InChIKey of 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MGEILIWHEJNGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-12-21-8-14(9-22-12)18-16(19)6-13(7-17(18)20)10-24-5-4-15(11-24)23(2)3/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 332.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 11674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).