2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C13H20ClN5O2 — CID 103536639

IUPAC2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOC1CN(c2nc(Cl)nc(N3CCCC3)n2)CC1OC
InChIInChI=1S/C13H20ClN5O2/c1-20-9-7-19(8-10(9)21-2)13-16-11(14)15-12(17-13)18-5-3-4-6-18/h9-10H,3-8H2,1-2H3
InChIKeyUYONXFUEQZJAAE-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.98
Rot. Bonds4

About 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 103536639) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID103536639
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOC1CN(c2nc(Cl)nc(N3CCCC3)n2)CC1OC
InChIInChI=1S/C13H20ClN5O2/c1-20-9-7-19(8-10(9)21-2)13-16-11(14)15-12(17-13)18-5-3-4-6-18/h9-10H,3-8H2,1-2H3
InChIKeyUYONXFUEQZJAAE-UHFFFAOYSA-N
XLogP0.98
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 103536639) is 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is COC1CN(c2nc(Cl)nc(N3CCCC3)n2)CC1OC.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is UYONXFUEQZJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c1-20-9-7-19(8-10(9)21-2)13-16-11(14)15-12(17-13)18-5-3-4-6-18/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 313.79 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 103536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).