butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C11H22ClN5 — CID 87719227

IUPACbutane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCCC.CCNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C7H12ClN5.C4H10/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-3-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13);3-4H2,1-2H3
InChIKeyONGDHDOTPSXYMW-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.19
Rot. Bonds5

About butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 87719227) has the molecular formula C11H22ClN5 and a molecular weight of 259.78 g/mol. Its IUPAC name is butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Namebutane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID87719227
Molecular FormulaC11H22ClN5
Molecular Weight259.78 g/mol
Exact Mass259.16
IUPAC Namebutane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCCC.CCNc1nc(Cl)nc(NCC)n1
InChIInChI=1S/C7H12ClN5.C4H10/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-3-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13);3-4H2,1-2H3
InChIKeyONGDHDOTPSXYMW-UHFFFAOYSA-N
XLogP3.19
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839

Frequently Asked Questions

What is the IUPAC name of butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 87719227) is butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCCC.CCNc1nc(Cl)nc(NCC)n1.
What is the InChIKey of butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ONGDHDOTPSXYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5.C4H10/c1-3-9-6-11-5(8)12-7(13-6)10-4-2;1-3-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13);3-4H2,1-2H3.
What are the key properties of butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 87719227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).