1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

C13H21ClN6O — CID 80779384

IUPAC1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCNc1nc(Cl)nc(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-3-6-16-12-17-11(14)18-13(19-12)20-7-4-9(5-8-20)10(21)15-2/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19)
InChIKeyGWIYQURSNHTCAR-UHFFFAOYSA-N
MW312.81 g/mol
LogP1.31
Rot. Bonds5

About 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 80779384) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID80779384
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCNc1nc(Cl)nc(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-3-6-16-12-17-11(14)18-13(19-12)20-7-4-9(5-8-20)10(21)15-2/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19)
InChIKeyGWIYQURSNHTCAR-UHFFFAOYSA-N
XLogP1.31
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 62864781
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322432
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (CID 80779384) is 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is CCCNc1nc(Cl)nc(N2CCC(C(=O)NC)CC2)n1.
What is the InChIKey of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is GWIYQURSNHTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-3-6-16-12-17-11(14)18-13(19-12)20-7-4-9(5-8-20)10(21)15-2/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19).
What are the key properties of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 312.81 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80779384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).