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

C18H22N8O2 — CID 121137899

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N(C)C)n1
InChIInChI=1S/C18H22N8O2/c1-24(2)17-21-14(22-18(23-17)25(3)4)9-19-15(27)10-26-11-20-13-8-6-5-7-12(13)16(26)28/h5-8,11H,9-10H2,1-4H3,(H,19,27)
InChIKeyQYTVIAMMXGBXSW-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.03
Rot. Bonds6

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

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 121137899) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID121137899
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C)c1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N(C)C)n1
InChIInChI=1S/C18H22N8O2/c1-24(2)17-21-14(22-18(23-17)25(3)4)9-19-15(27)10-26-11-20-13-8-6-5-7-12(13)16(26)28/h5-8,11H,9-10H2,1-4H3,(H,19,27)
InChIKeyQYTVIAMMXGBXSW-UHFFFAOYSA-N
XLogP0.03
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122322312
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122253592
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 121137899) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide is CN(C)c1nc(CNC(=O)Cn2cnc3ccccc3c2=O)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QYTVIAMMXGBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-24(2)17-21-14(22-18(23-17)25(3)4)9-19-15(27)10-26-11-20-13-8-6-5-7-12(13)16(26)28/h5-8,11H,9-10H2,1-4H3,(H,19,27).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 121137899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).