N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine

C17H18F4N4 — CID 170925557

IUPACN-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC[C@H]2CC(F)(F)CN2C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F4N4/c1-10-14(13-4-3-11(18)5-15(13)19)8-23-16(24-10)22-7-12-6-17(20,21)9-25(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,22,23,24)/t12-/m1/s1
InChIKeyPYLGRUYFQZSULD-GFCCVEGCSA-N
MW354.35 g/mol
LogP3.48
Rot. Bonds4

About N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine

N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine (PubChem CID 170925557) has the molecular formula C17H18F4N4 and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine
PubChem CID170925557
Molecular FormulaC17H18F4N4
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC NameN-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC[C@H]2CC(F)(F)CN2C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C17H18F4N4/c1-10-14(13-4-3-11(18)5-15(13)19)8-23-16(24-10)22-7-12-6-17(20,21)9-25(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,22,23,24)/t12-/m1/s1
InChIKeyPYLGRUYFQZSULD-GFCCVEGCSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine (CID 170925557) is N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine is Cc1nc(NC[C@H]2CC(F)(F)CN2C)ncc1-c1ccc(F)cc1F.
What is the InChIKey of N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine?
The InChIKey is PYLGRUYFQZSULD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F4N4/c1-10-14(13-4-3-11(18)5-15(13)19)8-23-16(24-10)22-7-12-6-17(20,21)9-25(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine?
N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine has a molecular weight of 354.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 170925557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).