N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide

C22H24FN5O — CID 122296595

IUPACN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)21-14-20(24-15(3)25-21)26-18-10-12-19(13-11-18)27-22(29)16-6-8-17(23)9-7-16/h6-14H,4-5H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyFEKZUUAZBLTRCI-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide (PubChem CID 122296595) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
PubChem CID122296595
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)21-14-20(24-15(3)25-21)26-18-10-12-19(13-11-18)27-22(29)16-6-8-17(23)9-7-16/h6-14H,4-5H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyFEKZUUAZBLTRCI-UHFFFAOYSA-N
XLogP4.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296778
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzenesulfonamide
CID 50752358
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122296853
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide
CID 122296731
4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 50748478

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide (CID 122296595) is N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide is CCN(CC)c1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide?
The InChIKey is FEKZUUAZBLTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-4-28(5-2)21-14-20(24-15(3)25-21)26-18-10-12-19(13-11-18)27-22(29)16-6-8-17(23)9-7-16/h6-14H,4-5H2,1-3H3,(H,27,29)(H,24,25,26).
What are the key properties of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide?
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide has a molecular weight of 393.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 122296595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).