N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide

C22H24BrN7O — CID 130350613

IUPACN-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide
SMILES[H]/N=C(\c1ccc(C)cc1)c1c(N)ncnc1NC(C)(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C22H24BrN7O/c1-13-4-6-14(7-5-13)18(24)17-19(25)28-12-29-20(17)30-22(2,3)11-27-21(31)16-9-8-15(23)10-26-16/h4-10,12,24H,11H2,1-3H3,(H,27,31)(H3,25,28,29,30)/b24-18+
InChIKeyCLYUUDHSJPTJEG-HKOYGPOVSA-N
MW482.39 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide

N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide (PubChem CID 130350613) has the molecular formula C22H24BrN7O and a molecular weight of 482.39 g/mol. Its IUPAC name is N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide
PubChem CID130350613
Molecular FormulaC22H24BrN7O
Molecular Weight482.39 g/mol
Exact Mass481.12
IUPAC NameN-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide
SMILES[H]/N=C(\c1ccc(C)cc1)c1c(N)ncnc1NC(C)(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C22H24BrN7O/c1-13-4-6-14(7-5-13)18(24)17-19(25)28-12-29-20(17)30-22(2,3)11-27-21(31)16-9-8-15(23)10-26-16/h4-10,12,24H,11H2,1-3H3,(H,27,31)(H3,25,28,29,30)/b24-18+
InChIKeyCLYUUDHSJPTJEG-HKOYGPOVSA-N
XLogP3.56
TPSA129.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide 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-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-2-fluorobenzamide
CID 130350483
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-propyl-1H-indole-6-carboxamide
CID 176645169
4-[4-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-5-carboximidoyl]benzoic acid
CID 144819373
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 176645174
N-[2-[[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 145487033
1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130159
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-methyl-1H-indole-6-carboxamide
CID 167024107
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide?
The IUPAC name of N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide (CID 130350613) is N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide is [H]/N=C(\c1ccc(C)cc1)c1c(N)ncnc1NC(C)(C)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide?
The InChIKey is CLYUUDHSJPTJEG-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H24BrN7O/c1-13-4-6-14(7-5-13)18(24)17-19(25)28-12-29-20(17)30-22(2,3)11-27-21(31)16-9-8-15(23)10-26-16/h4-10,12,24H,11H2,1-3H3,(H,27,31)(H3,25,28,29,30)/b24-18+.
What are the key properties of N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide?
N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide has a molecular weight of 482.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-5-(4-methylbenzenecarboximidoyl)pyrimidin-4-yl]amino]-2-methylpropyl]-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 130350613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).