4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine

C9H14Cl2N4 — CID 62868889

IUPAC4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
SMILESCC(C)CCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-6(2)4-5-15(3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3
InChIKeyGZESWEARQNILIN-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.66
Rot. Bonds4

About 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine (PubChem CID 62868889) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
PubChem CID62868889
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
SMILESCC(C)CCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-6(2)4-5-15(3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3
InChIKeyGZESWEARQNILIN-UHFFFAOYSA-N
XLogP2.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-ethoxy-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62858043
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864601
4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
CID 112663047
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
2-chloro-N-methyl-N-(3-methylbutyl)-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268213

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine (CID 62868889) is 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine is CC(C)CCN(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is GZESWEARQNILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-6(2)4-5-15(3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 2.66, 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-(3-methylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).