4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine

C13H22ClN5O — CID 62994572

IUPAC4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-20-13-17-11(14)16-12(18-13)15-8-10(2)9-19-6-4-5-7-19/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyLRHNFFMVUFFSLY-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.07
Rot. Bonds7

About 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 62994572) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID62994572
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-20-13-17-11(14)16-12(18-13)15-8-10(2)9-19-6-4-5-7-19/h10H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyLRHNFFMVUFFSLY-UHFFFAOYSA-N
XLogP2.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
6-ethoxy-4-N-methyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800577
4-chloro-6-ethoxy-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazin-2-amine
CID 63830004
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 107164920
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62859494
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
CID 115975019
4-chloro-6-ethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62858554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine (CID 62994572) is 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is LRHNFFMVUFFSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-20-13-17-11(14)16-12(18-13)15-8-10(2)9-19-6-4-5-7-19/h10H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).