2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C12H19ClN4O2 — CID 63390254

IUPAC2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2CCCCl)n1
InChIInChI=1S/C12H19ClN4O2/c1-18-11-14-10(15-12(16-11)19-2)17-8-4-6-9(17)5-3-7-13/h9H,3-8H2,1-2H3
InChIKeyRWCAGUGFRXGUFD-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.88
Rot. Bonds6

About 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 63390254) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID63390254
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCCC2CCCCl)n1
InChIInChI=1S/C12H19ClN4O2/c1-18-11-14-10(15-12(16-11)19-2)17-8-4-6-9(17)5-3-7-13/h9H,3-8H2,1-2H3
InChIKeyRWCAGUGFRXGUFD-UHFFFAOYSA-N
XLogP1.88
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-chloropropyl)pyrrolidin-1-yl]-5,6-dimethyl-1,2,4-triazine
CID 114787780
5-chloro-4-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-methoxypyrimidine
CID 80752691
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
CID 115973852
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
CID 63390155
3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 102785897
2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
CID 175657256
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
CID 63390154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 63390254) is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCCC2CCCCl)n1.
What is the InChIKey of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is RWCAGUGFRXGUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-18-11-14-10(15-12(16-11)19-2)17-8-4-6-9(17)5-3-7-13/h9H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 286.76 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 63390254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).