6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C15H20ClN5 — CID 62870223

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCc2ccccc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-21(4-2)15-19-13(16)18-14(20-15)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18,19,20)
InChIKeyRNVKBDLGOFNNKZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.03
Rot. Bonds7

About 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62870223) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62870223
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCc2ccccc2)n1
InChIInChI=1S/C15H20ClN5/c1-3-21(4-2)15-19-13(16)18-14(20-15)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18,19,20)
InChIKeyRNVKBDLGOFNNKZ-UHFFFAOYSA-N
XLogP3.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 101080049
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 63330863
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62864756
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N-diethyl-4-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863799

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 62870223) is 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCCc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RNVKBDLGOFNNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-3-21(4-2)15-19-13(16)18-14(20-15)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.03, 7 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-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62870223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).