6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine

C14H19ClN8 — CID 23582562

IUPAC6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
SMILESNc1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C14H19ClN8/c15-10-11(16)19-12-9(18-10)13(22-5-1-2-6-22)21-14(20-12)23-7-3-17-4-8-23/h17H,1-8H2,(H2,16,19,20,21)
InChIKeyVYCDWIQURPEJJG-UHFFFAOYSA-N
MW334.82 g/mol
LogP0.67
Rot. Bonds2

About 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine

6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine (PubChem CID 23582562) has the molecular formula C14H19ClN8 and a molecular weight of 334.82 g/mol. Its IUPAC name is 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine.

Molecular Properties

Compound Name6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
PubChem CID23582562
Molecular FormulaC14H19ClN8
Molecular Weight334.82 g/mol
Exact Mass334.14
IUPAC Name6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
SMILESNc1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C14H19ClN8/c15-10-11(16)19-12-9(18-10)13(22-5-1-2-6-22)21-14(20-12)23-7-3-17-4-8-23/h17H,1-8H2,(H2,16,19,20,21)
InChIKeyVYCDWIQURPEJJG-UHFFFAOYSA-N
XLogP0.67
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The IUPAC name of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine (CID 23582562) is 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine.
What is the SMILES notation for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The canonical SMILES for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine is Nc1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl.
What is the InChIKey of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The InChIKey is VYCDWIQURPEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN8/c15-10-11(16)19-12-9(18-10)13(22-5-1-2-6-22)21-14(20-12)23-7-3-17-4-8-23/h17H,1-8H2,(H2,16,19,20,21).
What are the key properties of 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine has a molecular weight of 334.82 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine is sourced from PubChem (CID 23582562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).