4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H22ClN5 — CID 62870530

IUPAC4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H22ClN5/c1-5-8-9-17(4)11-14-10(13)15-12(16-11)18(6-2)7-3/h5-9H2,1-4H3
InChIKeyZKWOPCYVWMEMLN-UHFFFAOYSA-N
MW271.80 g/mol
LogP2.61
Rot. Bonds7

About 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine

4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 62870530) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID62870530
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H22ClN5/c1-5-8-9-17(4)11-14-10(13)15-12(16-11)18(6-2)7-3/h5-9H2,1-4H3
InChIKeyZKWOPCYVWMEMLN-UHFFFAOYSA-N
XLogP2.61
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62870174
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62864913
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 62870530) is 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCN(C)c1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZKWOPCYVWMEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5/c1-5-8-9-17(4)11-14-10(13)15-12(16-11)18(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.80 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).