4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

C13H21N5O — CID 80820078

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyJCEZZIXDTHOYMM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80820078) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80820078
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyJCEZZIXDTHOYMM-UHFFFAOYSA-N
XLogP1.62
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 55124733
2-Chloro-4-methoxy-6-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 62857170
2-(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
CID 62857696
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62858235
2,4-Dimethoxy-6-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 62861435
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62863296
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62863297
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863298
2,4-Dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine
CID 62870452
2-Chloro-4-methoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257370
2,4-Dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
4-chloro-N-(1-cyclopentylethyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64111307

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 80820078) is 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is JCEZZIXDTHOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-19-13-16-11(14)15-12(17-13)18-8-4-7-10(18)9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80820078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).