2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H20ClN5 — CID 55125314

IUPAC2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(CC)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-8(3)17(7-2)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3
InChIKeyQQMMPOKBIIVJIX-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.22
Rot. Bonds5

About 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 55125314) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID55125314
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(CC)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-6-8(3)17(7-2)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3
InChIKeyQQMMPOKBIIVJIX-UHFFFAOYSA-N
XLogP2.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
4,6-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3,5-triazin-2-amine
CID 62870620
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
2-N-butan-2-yl-2-N,4-N,4-N-triethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80783122
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
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
4-chloro-6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124099
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-2-N-(1-cyclopropylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62862655
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 55125314) is 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCC(C)N(CC)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QQMMPOKBIIVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-6-8(3)17(7-2)11-14-9(12)13-10(15-11)16(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).