N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

C16H21FN6O — CID 122253969

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H21FN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,24)
InChIKeyDZCYWXOLPLJVJZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.00
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 122253969) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID122253969
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H21FN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,24)
InChIKeyDZCYWXOLPLJVJZ-UHFFFAOYSA-N
XLogP1.00
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
CID 121137894
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122254858
3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide
CID 121137869
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
CID 122253963
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 40879933
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 122253969) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is CN(C)c1nc(CNC(=O)Cc2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DZCYWXOLPLJVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-22(2)15-19-13(20-16(21-15)23(3)4)10-18-14(24)9-11-5-7-12(17)8-6-11/h5-8H,9-10H2,1-4H3,(H,18,24).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 122253969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).