4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

C13H22ClN5O — CID 64596823

IUPAC4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-7-6-10(8-19)9-20-3/h10H,4-9H2,1-3H3
InChIKeyRLJHMBKPGWMJIR-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.84
Rot. Bonds6

About 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 64596823) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID64596823
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-7-6-10(8-19)9-20-3/h10H,4-9H2,1-3H3
InChIKeyRLJHMBKPGWMJIR-UHFFFAOYSA-N
XLogP1.84
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 64596823) is 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCC(COC)C2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is RLJHMBKPGWMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-7-6-10(8-19)9-20-3/h10H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 64596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).