N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide

C12H20ClN5O2 — CID 62858232

IUPACN-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide
SMILESCCOc1nc(Cl)nc(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C12H20ClN5O2/c1-4-8(3)15-9(19)6-7-14-11-16-10(13)17-12(18-11)20-5-2/h8H,4-7H2,1-3H3,(H,15,19)(H,14,16,17,18)
InChIKeyIAOHICHAIFKWJE-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.64
Rot. Bonds8

About N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide

N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 62858232) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID62858232
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC NameN-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide
SMILESCCOc1nc(Cl)nc(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C12H20ClN5O2/c1-4-8(3)15-9(19)6-7-14-11-16-10(13)17-12(18-11)20-5-2/h8H,4-7H2,1-3H3,(H,15,19)(H,14,16,17,18)
InChIKeyIAOHICHAIFKWJE-UHFFFAOYSA-N
XLogP1.64
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide (CID 62858232) is N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide is CCOc1nc(Cl)nc(NCCC(=O)NC(C)CC)n1.
What is the InChIKey of N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is IAOHICHAIFKWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c1-4-8(3)15-9(19)6-7-14-11-16-10(13)17-12(18-11)20-5-2/h8H,4-7H2,1-3H3,(H,15,19)(H,14,16,17,18).
What are the key properties of N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide?
N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 301.78 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 62858232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).