4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine

C11H18Cl2N4 — CID 169438788

IUPAC4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
SMILES[2H]C([2H])(CCC)N(c1nc(Cl)nc(Cl)n1)C([2H])([2H])CCC
InChIInChI=1S/C11H18Cl2N4/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-8H2,1-2H3/i7D2,8D2
InChIKeyIWGAEEKEEFSIGK-OSEHSPPNSA-N
MW281.22 g/mol
LogP3.59
Rot. Bonds7

About 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine

4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine (PubChem CID 169438788) has the molecular formula C11H18Cl2N4 and a molecular weight of 281.22 g/mol. Its IUPAC name is 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
PubChem CID169438788
Molecular FormulaC11H18Cl2N4
Molecular Weight281.22 g/mol
Exact Mass280.12
IUPAC Name4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
SMILES[2H]C([2H])(CCC)N(c1nc(Cl)nc(Cl)n1)C([2H])([2H])CCC
InChIInChI=1S/C11H18Cl2N4/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-8H2,1-2H3/i7D2,8D2
InChIKeyIWGAEEKEEFSIGK-OSEHSPPNSA-N
XLogP3.59
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
6-chloro-2-N,2-N,4-N,4-N-tetrakis(pentylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 20504271
4,6-dichloro-N,N-bis(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 55023614

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine (CID 169438788) is 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine is [2H]C([2H])(CCC)N(c1nc(Cl)nc(Cl)n1)C([2H])([2H])CCC.
What is the InChIKey of 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine?
The InChIKey is IWGAEEKEEFSIGK-OSEHSPPNSA-N. The full InChI is InChI=1S/C11H18Cl2N4/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-8H2,1-2H3/i7D2,8D2.
What are the key properties of 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine has a molecular weight of 281.22 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 169438788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).