2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C14H23ClN6 — CID 63615539

IUPAC2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCN1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1C
InChIInChI=1S/C14H23ClN6/c1-3-19-8-9-21(10-11(19)2)14-17-12(15)16-13(18-14)20-6-4-5-7-20/h11H,3-10H2,1-2H3
InChIKeyXZRIGFPJAUZGFG-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.66
Rot. Bonds3

About 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 63615539) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID63615539
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCN1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1C
InChIInChI=1S/C14H23ClN6/c1-3-19-8-9-21(10-11(19)2)14-17-12(15)16-13(18-14)20-6-4-5-7-20/h11H,3-10H2,1-2H3
InChIKeyXZRIGFPJAUZGFG-UHFFFAOYSA-N
XLogP1.66
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 103536639
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine
CID 114594502
[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80911156
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
3,5-dichloro-4-(4-ethyl-3-methylpiperazin-1-yl)aniline
CID 106890415
4-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
CID 66075655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 63615539) is 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is CCN1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1C.
What is the InChIKey of 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is XZRIGFPJAUZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-3-19-8-9-21(10-11(19)2)14-17-12(15)16-13(18-14)20-6-4-5-7-20/h11H,3-10H2,1-2H3.
What are the key properties of 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 310.83 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 63615539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).