4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine

C14H14Cl2N4 — CID 11023272

IUPAC4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine
SMILESCN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C14H14Cl2N4/c1-20(14-18-12(15)17-13(16)19-14)8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyUWBISYYVQCGUCS-WDEREUQCSA-N
MW309.20 g/mol
LogP3.42
Rot. Bonds4

About 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 11023272) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine
PubChem CID11023272
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine
SMILESCN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C14H14Cl2N4/c1-20(14-18-12(15)17-13(16)19-14)8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyUWBISYYVQCGUCS-WDEREUQCSA-N
XLogP3.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine (CID 11023272) is 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine is CN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is UWBISYYVQCGUCS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-20(14-18-12(15)17-13(16)19-14)8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 309.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11023272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).