6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

C13H23ClN6 — CID 62862949

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(Cl)nc(N(C)C)n1)N1CCCCC1
InChIInChI=1S/C13H23ClN6/c1-10(20-7-5-4-6-8-20)9-15-12-16-11(14)17-13(18-12)19(2)3/h10H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyIUARCXVHLDXZNO-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.88
Rot. Bonds5

About 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62862949) has the molecular formula C13H23ClN6 and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID62862949
Molecular FormulaC13H23ClN6
Molecular Weight298.82 g/mol
Exact Mass298.17
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(Cl)nc(N(C)C)n1)N1CCCCC1
InChIInChI=1S/C13H23ClN6/c1-10(20-7-5-4-6-8-20)9-15-12-16-11(14)17-13(18-12)19(2)3/h10H,4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyIUARCXVHLDXZNO-UHFFFAOYSA-N
XLogP1.88
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 62862949) is 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CC(CNc1nc(Cl)nc(N(C)C)n1)N1CCCCC1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IUARCXVHLDXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6/c1-10(20-7-5-4-6-8-20)9-15-12-16-11(14)17-13(18-12)19(2)3/h10H,4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 298.82 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62862949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).