2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine

C14H16Cl2N6 — CID 10286693

IUPAC2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine
SMILESClc1nc(N2CCCC2)c2nc(Cl)c(N3CCCC3)nc2n1
InChIInChI=1S/C14H16Cl2N6/c15-10-13(22-7-3-4-8-22)18-11-9(17-10)12(20-14(16)19-11)21-5-1-2-6-21/h1-8H2
InChIKeyHCPDVMSUVLJLBG-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.93
Rot. Bonds2

About 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine

2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine (PubChem CID 10286693) has the molecular formula C14H16Cl2N6 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine.

Molecular Properties

Compound Name2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine
PubChem CID10286693
Molecular FormulaC14H16Cl2N6
Molecular Weight339.23 g/mol
Exact Mass338.08
IUPAC Name2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine
SMILESClc1nc(N2CCCC2)c2nc(Cl)c(N3CCCC3)nc2n1
InChIInChI=1S/C14H16Cl2N6/c15-10-13(22-7-3-4-8-22)18-11-9(17-10)12(20-14(16)19-11)21-5-1-2-6-21/h1-8H2
InChIKeyHCPDVMSUVLJLBG-UHFFFAOYSA-N
XLogP2.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine?
The IUPAC name of 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine (CID 10286693) is 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine.
What is the SMILES notation for 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine?
The canonical SMILES for 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine is Clc1nc(N2CCCC2)c2nc(Cl)c(N3CCCC3)nc2n1.
What is the InChIKey of 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine?
The InChIKey is HCPDVMSUVLJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6/c15-10-13(22-7-3-4-8-22)18-11-9(17-10)12(20-14(16)19-11)21-5-1-2-6-21/h1-8H2.
What are the key properties of 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine?
2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine has a molecular weight of 339.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4,7-dipyrrolidin-1-ylpteridine is sourced from PubChem (CID 10286693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).