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

C13H21ClN6O — CID 62863411

IUPAC2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21ClN6O/c1-3-15-10(21)9(2)16-12-17-11(14)18-13(19-12)20-7-5-4-6-8-20/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19)
InChIKeyUZMWAXYASULAQG-UHFFFAOYSA-N
MW312.81 g/mol
LogP1.45
Rot. Bonds5

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

2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide (PubChem CID 62863411) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
PubChem CID62863411
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21ClN6O/c1-3-15-10(21)9(2)16-12-17-11(14)18-13(19-12)20-7-5-4-6-8-20/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19)
InChIKeyUZMWAXYASULAQG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide (CID 62863411) is 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
The InChIKey is UZMWAXYASULAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-3-15-10(21)9(2)16-12-17-11(14)18-13(19-12)20-7-5-4-6-8-20/h9H,3-8H2,1-2H3,(H,15,21)(H,16,17,18,19).
What are the key properties of 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide?
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide has a molecular weight of 312.81 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 62863411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).