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

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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).