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

C18H25ClN8 — CID 87510025

IUPAC6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
SMILESClc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NC1CCC1
InChIInChI=1S/C18H25ClN8/c19-14-16(21-12-4-3-5-12)23-15-13(22-14)17(26-8-1-2-9-26)25-18(24-15)27-10-6-20-7-11-27/h12,20H,1-11H2,(H,21,23,24,25)
InChIKeyBLRLNCSYINODCI-UHFFFAOYSA-N
MW388.91 g/mol
LogP2.05
Rot. Bonds4

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

6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine (PubChem CID 87510025) has the molecular formula C18H25ClN8 and a molecular weight of 388.91 g/mol. Its IUPAC name is 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine.

Molecular Properties

Compound Name6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
PubChem CID87510025
Molecular FormulaC18H25ClN8
Molecular Weight388.91 g/mol
Exact Mass388.19
IUPAC Name6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
SMILESClc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NC1CCC1
InChIInChI=1S/C18H25ClN8/c19-14-16(21-12-4-3-5-12)23-15-13(22-14)17(26-8-1-2-9-26)25-18(24-15)27-10-6-20-7-11-27/h12,20H,1-11H2,(H,21,23,24,25)
InChIKeyBLRLNCSYINODCI-UHFFFAOYSA-N
XLogP2.05
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The IUPAC name of 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine (CID 87510025) is 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine.
What is the SMILES notation for 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The canonical SMILES for 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine is Clc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NC1CCC1.
What is the InChIKey of 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
The InChIKey is BLRLNCSYINODCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN8/c19-14-16(21-12-4-3-5-12)23-15-13(22-14)17(26-8-1-2-9-26)25-18(24-15)27-10-6-20-7-11-27/h12,20H,1-11H2,(H,21,23,24,25).
What are the key properties of 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine?
6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine has a molecular weight of 388.91 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclobutyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine is sourced from PubChem (CID 87510025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).