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

C17H24N6O — CID 122253963

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-11-7-8-12(2)13(9-11)15(24)18-10-14-19-16(22(3)4)21-17(20-14)23(5)6/h7-9H,10H2,1-6H3,(H,18,24)
InChIKeyQHKYWPAKQFQBTI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.55
Rot. Bonds5

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide (PubChem CID 122253963) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
PubChem CID122253963
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C17H24N6O/c1-11-7-8-12(2)13(9-11)15(24)18-10-14-19-16(22(3)4)21-17(20-14)23(5)6/h7-9H,10H2,1-6H3,(H,18,24)
InChIKeyQHKYWPAKQFQBTI-UHFFFAOYSA-N
XLogP1.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
CID 121137894
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 122253969
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide (CID 122253963) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide?
The InChIKey is QHKYWPAKQFQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-7-8-12(2)13(9-11)15(24)18-10-14-19-16(22(3)4)21-17(20-14)23(5)6/h7-9H,10H2,1-6H3,(H,18,24).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide has a molecular weight of 328.42 g/mol, XLogP of 1.55, 5 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]-2,5-dimethylbenzamide is sourced from PubChem (CID 122253963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).