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

C16H28ClN5 — CID 139072421

IUPAC4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C16H28ClN5/c1-15(2,3)11-16(4,5)21-13-18-12(17)19-14(20-13)22-9-7-6-8-10-22/h6-11H2,1-5H3,(H,18,19,20,21)
InChIKeyNEVUAORMXMRNSD-UHFFFAOYSA-N
MW325.89 g/mol
LogP4.14
Rot. Bonds4

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

4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 139072421) has the molecular formula C16H28ClN5 and a molecular weight of 325.89 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID139072421
Molecular FormulaC16H28ClN5
Molecular Weight325.89 g/mol
Exact Mass325.20
IUPAC Name4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C16H28ClN5/c1-15(2,3)11-16(4,5)21-13-18-12(17)19-14(20-13)22-9-7-6-8-10-22/h6-11H2,1-5H3,(H,18,19,20,21)
InChIKeyNEVUAORMXMRNSD-UHFFFAOYSA-N
XLogP4.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (CID 139072421) is 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is NEVUAORMXMRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN5/c1-15(2,3)11-16(4,5)21-13-18-12(17)19-14(20-13)22-9-7-6-8-10-22/h6-11H2,1-5H3,(H,18,19,20,21).
What are the key properties of 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 325.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139072421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).