2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide

C8H12ClN5O2 — CID 62858479

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
SMILESCOc1nc(Cl)nc(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C8H12ClN5O2/c1-8(2,4(10)15)14-6-11-5(9)12-7(13-6)16-3/h1-3H3,(H2,10,15)(H,11,12,13,14)
InChIKeyFXQUWBVIXTYHOL-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.21
Rot. Bonds4

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide (PubChem CID 62858479) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
PubChem CID62858479
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
SMILESCOc1nc(Cl)nc(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C8H12ClN5O2/c1-8(2,4(10)15)14-6-11-5(9)12-7(13-6)16-3/h1-3H3,(H2,10,15)(H,11,12,13,14)
InChIKeyFXQUWBVIXTYHOL-UHFFFAOYSA-N
XLogP0.21
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide 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

2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
CID 62857641
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanoate
CID 70473563
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide (CID 62858479) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide is COc1nc(Cl)nc(NC(C)(C)C(N)=O)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide?
The InChIKey is FXQUWBVIXTYHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O2/c1-8(2,4(10)15)14-6-11-5(9)12-7(13-6)16-3/h1-3H3,(H2,10,15)(H,11,12,13,14).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide has a molecular weight of 245.67 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 62858479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).