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

C19H20ClN5 — CID 3767089

IUPAC6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20ClN5/c1-13(15-9-5-3-6-10-15)21-18-23-17(20)24-19(25-18)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,21,22,23,24,25)
InChIKeyVUHZBRPMEFMEPF-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.87
Rot. Bonds6

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

6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3767089) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID3767089
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H20ClN5/c1-13(15-9-5-3-6-10-15)21-18-23-17(20)24-19(25-18)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,21,22,23,24,25)
InChIKeyVUHZBRPMEFMEPF-UHFFFAOYSA-N
XLogP4.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
CID 44516135
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 3767089) is 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Cl)nc(NC(C)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VUHZBRPMEFMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13(15-9-5-3-6-10-15)21-18-23-17(20)24-19(25-18)22-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3767089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).