4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine

C18H25ClN8O2 — CID 13371667

IUPAC4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine
SMILESClc1nc2c(N3CCOCC3)nc(N3CCNCC3)nc2nc1N1CCOCC1
InChIInChI=1S/C18H25ClN8O2/c19-14-17(26-7-11-29-12-8-26)22-15-13(21-14)16(25-5-9-28-10-6-25)24-18(23-15)27-3-1-20-2-4-27/h20H,1-12H2
InChIKeyBEWAZLMUFUPYJR-UHFFFAOYSA-N
MW420.91 g/mol
LogP0.16
Rot. Bonds3

About 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine

4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine (PubChem CID 13371667) has the molecular formula C18H25ClN8O2 and a molecular weight of 420.91 g/mol. Its IUPAC name is 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine
PubChem CID13371667
Molecular FormulaC18H25ClN8O2
Molecular Weight420.91 g/mol
Exact Mass420.18
IUPAC Name4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine
SMILESClc1nc2c(N3CCOCC3)nc(N3CCNCC3)nc2nc1N1CCOCC1
InChIInChI=1S/C18H25ClN8O2/c19-14-17(26-7-11-29-12-8-26)22-15-13(21-14)16(25-5-9-28-10-6-25)24-18(23-15)27-3-1-20-2-4-27/h20H,1-12H2
InChIKeyBEWAZLMUFUPYJR-UHFFFAOYSA-N
XLogP0.16
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine?
The IUPAC name of 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine (CID 13371667) is 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine.
What is the SMILES notation for 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine?
The canonical SMILES for 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine is Clc1nc2c(N3CCOCC3)nc(N3CCNCC3)nc2nc1N1CCOCC1.
What is the InChIKey of 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine?
The InChIKey is BEWAZLMUFUPYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN8O2/c19-14-17(26-7-11-29-12-8-26)22-15-13(21-14)16(25-5-9-28-10-6-25)24-18(23-15)27-3-1-20-2-4-27/h20H,1-12H2.
What are the key properties of 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine?
4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine has a molecular weight of 420.91 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine is sourced from PubChem (CID 13371667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).