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

C14H18ClN5 — CID 104592104

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(Cl)nc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C14H18ClN5/c1-10(11-7-5-4-6-8-11)9-16-13-17-12(15)18-14(19-13)20(2)3/h4-8,10H,9H2,1-3H3,(H,16,17,18,19)
InChIKeyVZLUORDZZUPSHU-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.81
Rot. Bonds5

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

6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 104592104) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID104592104
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(Cl)nc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C14H18ClN5/c1-10(11-7-5-4-6-8-11)9-16-13-17-12(15)18-14(19-13)20(2)3/h4-8,10H,9H2,1-3H3,(H,16,17,18,19)
InChIKeyVZLUORDZZUPSHU-UHFFFAOYSA-N
XLogP2.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine (CID 104592104) is 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine is CC(CNc1nc(Cl)nc(N(C)C)n1)c1ccccc1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VZLUORDZZUPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-10(11-7-5-4-6-8-11)9-16-13-17-12(15)18-14(19-13)20(2)3/h4-8,10H,9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104592104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).