4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine

C13H22ClN5 — CID 80821649

IUPAC4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC(C)C2C)n1
InChIInChI=1S/C13H22ClN5/c1-4-7-15-12-16-11(14)17-13(18-12)19-8-5-6-9(2)10(19)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyHCRHXWXQWIVGLO-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.97
Rot. Bonds4

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

4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80821649) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80821649
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC(C)C2C)n1
InChIInChI=1S/C13H22ClN5/c1-4-7-15-12-16-11(14)17-13(18-12)19-8-5-6-9(2)10(19)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyHCRHXWXQWIVGLO-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
CID 80850816
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80789244
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
CID 134123243
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine (CID 80821649) is 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCCC(C)C2C)n1.
What is the InChIKey of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HCRHXWXQWIVGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-4-7-15-12-16-11(14)17-13(18-12)19-8-5-6-9(2)10(19)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80821649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).