N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide

C10H15Cl2N5O — CID 113410956

IUPACN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N5O/c1-10(2,3)17-6(18)4-5-13-9-15-7(11)14-8(12)16-9/h4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChIKeyQSHFHRKGXADNNG-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.90
Rot. Bonds4

About N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide

N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 113410956) has the molecular formula C10H15Cl2N5O and a molecular weight of 292.17 g/mol. Its IUPAC name is N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID113410956
Molecular FormulaC10H15Cl2N5O
Molecular Weight292.17 g/mol
Exact Mass291.07
IUPAC NameN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N5O/c1-10(2,3)17-6(18)4-5-13-9-15-7(11)14-8(12)16-9/h4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChIKeyQSHFHRKGXADNNG-UHFFFAOYSA-N
XLogP1.90
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide (CID 113410956) is N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide is CC(C)(C)NC(=O)CCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is QSHFHRKGXADNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5O/c1-10(2,3)17-6(18)4-5-13-9-15-7(11)14-8(12)16-9/h4-5H2,1-3H3,(H,17,18)(H,13,14,15,16).
What are the key properties of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide?
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 292.17 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 113410956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).