[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone

C22H25N7O — CID 2620769

IUPAC[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N7O/c1-16-7-5-6-10-18(16)24-22-26-19(25-21(23)27-22)15-28-11-13-29(14-12-28)20(30)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H3,23,24,25,26,27)
InChIKeyYJXYTECWJFOMBK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.46
Rot. Bonds5

About [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone

[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 2620769) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone
PubChem CID2620769
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccccc1Nc1nc(N)nc(CN2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N7O/c1-16-7-5-6-10-18(16)24-22-26-19(25-21(23)27-22)15-28-11-13-29(14-12-28)20(30)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H3,23,24,25,26,27)
InChIKeyYJXYTECWJFOMBK-UHFFFAOYSA-N
XLogP2.46
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzamide
CID 44473371
N-[2-(dimethylamino)ethyl]-N-methyl-4-[[4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzamide
CID 44514208
N-[2-(dimethylamino)ethyl]-4-[[4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzamide
CID 44514210
N-(2-(dimethylamino)ethyl)-4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)-N-methylbenzamide hydrochloride
CID 45379226
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methylbenzamide
CID 56667023
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzamide
CID 56677282
4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 56683916
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-[(3-methylbenzoyl)amino]acetate
CID 2097282
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
(S)-N-benzyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821917
4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 56670464
1-[4-(4-Methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 56677283

Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone (CID 2620769) is [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone is Cc1ccccc1Nc1nc(N)nc(CN2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is YJXYTECWJFOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-16-7-5-6-10-18(16)24-22-26-19(25-21(23)27-22)15-28-11-13-29(14-12-28)20(30)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H3,23,24,25,26,27).
What are the key properties of [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone?
[4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 403.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 2620769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).