N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide

C20H19F2N5O — CID 27478236

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1
InChIInChI=1S/C20H19F2N5O/c1-12-11-17(27(2)3)26-20(23-12)25-14-9-7-13(8-10-14)24-19(28)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyFICPGEHTMJWYAN-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide (PubChem CID 27478236) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide
PubChem CID27478236
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1
InChIInChI=1S/C20H19F2N5O/c1-12-11-17(27(2)3)26-20(23-12)25-14-9-7-13(8-10-14)24-19(28)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyFICPGEHTMJWYAN-UHFFFAOYSA-N
XLogP4.13
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide (CID 27478236) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide?
The InChIKey is FICPGEHTMJWYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c1-12-11-17(27(2)3)26-20(23-12)25-14-9-7-13(8-10-14)24-19(28)18-15(21)5-4-6-16(18)22/h4-11H,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide has a molecular weight of 383.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 27478236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).