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

C8H12ClN5O2 — CID 62857824

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN5O2/c1-4(5(15)10-2)11-7-12-6(9)13-8(14-7)16-3/h4H,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyUIECYPWZXRJFEZ-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.08
Rot. Bonds4

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 62857824) 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]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID62857824
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN5O2/c1-4(5(15)10-2)11-7-12-6(9)13-8(14-7)16-3/h4H,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyUIECYPWZXRJFEZ-UHFFFAOYSA-N
XLogP0.08
TPSA89.03 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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62863572
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80897303
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 65048061
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 62857824) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is UIECYPWZXRJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O2/c1-4(5(15)10-2)11-7-12-6(9)13-8(14-7)16-3/h4H,1-3H3,(H,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]-N-methylpropanamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 245.67 g/mol, XLogP of 0.08, 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]-N-methylpropanamide is sourced from PubChem (CID 62857824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).