4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine

C12H20ClN5 — CID 80796310

IUPAC4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC(CC)CC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-5-7-18(8-6-9)12-16-10(13)15-11(17-12)14-4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyDHBPDBCQMCHAOD-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.58
Rot. Bonds4

About 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80796310) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80796310
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC(CC)CC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-5-7-18(8-6-9)12-16-10(13)15-11(17-12)14-4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyDHBPDBCQMCHAOD-UHFFFAOYSA-N
XLogP2.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746672
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 82752307
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine (CID 80796310) is 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCC(CC)CC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DHBPDBCQMCHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-9-5-7-18(8-6-9)12-16-10(13)15-11(17-12)14-4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80796310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).