4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine

C13H18ClN7 — CID 62864635

IUPAC4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H18ClN7/c14-11-17-12(16-5-8-20-6-2-1-3-7-20)19-13(18-11)21-9-4-15-10-21/h4,9-10H,1-3,5-8H2,(H,16,17,18,19)
InChIKeyOBKHXIZMHNUDQL-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.61
Rot. Bonds5

About 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 62864635) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
PubChem CID62864635
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H18ClN7/c14-11-17-12(16-5-8-20-6-2-1-3-7-20)19-13(18-11)21-9-4-15-10-21/h4,9-10H,1-3,5-8H2,(H,16,17,18,19)
InChIKeyOBKHXIZMHNUDQL-UHFFFAOYSA-N
XLogP1.61
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 105419825
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine (CID 62864635) is 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine is Clc1nc(NCCN2CCCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is OBKHXIZMHNUDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c14-11-17-12(16-5-8-20-6-2-1-3-7-20)19-13(18-11)21-9-4-15-10-21/h4,9-10H,1-3,5-8H2,(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).