2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine

C31H26ClN5 — CID 10577433

IUPAC2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(N[C@H](C)c2c3ccccc3cc3ccccc23)n1)c1cccc2ccccc12
InChIInChI=1S/C31H26ClN5/c1-19(24-17-9-13-21-10-3-6-14-25(21)24)33-30-35-29(32)36-31(37-30)34-20(2)28-26-15-7-4-11-22(26)18-23-12-5-8-16-27(23)28/h3-20H,1-2H3,(H2,33,34,35,36,37)/t19-,20-/m1/s1
InChIKeyVYWXUILPLNCNLF-WOJBJXKFSA-N
MW504.04 g/mol
LogP8.33
Rot. Bonds6

About 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine

2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 10577433) has the molecular formula C31H26ClN5 and a molecular weight of 504.04 g/mol. Its IUPAC name is 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
PubChem CID10577433
Molecular FormulaC31H26ClN5
Molecular Weight504.04 g/mol
Exact Mass503.19
IUPAC Name2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(Cl)nc(N[C@H](C)c2c3ccccc3cc3ccccc23)n1)c1cccc2ccccc12
InChIInChI=1S/C31H26ClN5/c1-19(24-17-9-13-21-10-3-6-14-25(21)24)33-30-35-29(32)36-31(37-30)34-20(2)28-26-15-7-4-11-22(26)18-23-12-5-8-16-27(23)28/h3-20H,1-2H3,(H2,33,34,35,36,37)/t19-,20-/m1/s1
InChIKeyVYWXUILPLNCNLF-WOJBJXKFSA-N
XLogP8.33
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.04
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

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CID 67447245
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
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2-N,4-N-bis[(1R)-1-naphthalen-1-ylethyl]-2-N-[(1S)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4,6-triamine
CID 100936160
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CID 107632024
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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine (CID 10577433) is 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](Nc1nc(Cl)nc(N[C@H](C)c2c3ccccc3cc3ccccc23)n1)c1cccc2ccccc12.
What is the InChIKey of 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VYWXUILPLNCNLF-WOJBJXKFSA-N. The full InChI is InChI=1S/C31H26ClN5/c1-19(24-17-9-13-21-10-3-6-14-25(21)24)33-30-35-29(32)36-31(37-30)34-20(2)28-26-15-7-4-11-22(26)18-23-12-5-8-16-27(23)28/h3-20H,1-2H3,(H2,33,34,35,36,37)/t19-,20-/m1/s1.
What are the key properties of 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine?
2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 504.04 g/mol, XLogP of 8.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10577433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).