2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

C15H23ClN4O — CID 62863297

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H23ClN4O/c1-10(2)21-15-18-13(16)17-14(19-15)20-9-5-8-12(20)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3
InChIKeyADUIAKBKKKZCMK-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62863297) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62863297
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H23ClN4O/c1-10(2)21-15-18-13(16)17-14(19-15)20-9-5-8-12(20)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3
InChIKeyADUIAKBKKKZCMK-UHFFFAOYSA-N
XLogP3.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 62863297) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is ADUIAKBKKKZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-10(2)21-15-18-13(16)17-14(19-15)20-9-5-8-12(20)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 310.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62863297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).