N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide

C17H20F3N5O2 — CID 122293641

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(NCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc(N(C)C)n1
InChIInChI=1S/C17H20F3N5O2/c1-11-23-14(10-15(24-11)25(2)3)21-8-9-22-16(26)12-4-6-13(7-5-12)27-17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyMMUIQCZDVHGNQJ-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.59
Rot. Bonds7

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 122293641) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID122293641
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(NCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc(N(C)C)n1
InChIInChI=1S/C17H20F3N5O2/c1-11-23-14(10-15(24-11)25(2)3)21-8-9-22-16(26)12-4-6-13(7-5-12)27-17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyMMUIQCZDVHGNQJ-UHFFFAOYSA-N
XLogP2.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122324631
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122293561
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
CID 50947118
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122293803
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122293671
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide (CID 122293641) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide is Cc1nc(NCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is MMUIQCZDVHGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11-23-14(10-15(24-11)25(2)3)21-8-9-22-16(26)12-4-6-13(7-5-12)27-17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 383.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122293641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).