4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine

C18H25ClN8S2 — CID 13371672

IUPAC4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
SMILESClc1nc2c(N3CCSCC3)nc(N3CCNCC3)nc2nc1N1CCSCC1
InChIInChI=1S/C18H25ClN8S2/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
InChIKeyCHOHNJBFJCQZAX-UHFFFAOYSA-N
MW453.04 g/mol
LogP1.59
Rot. Bonds3

About 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine

4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine (PubChem CID 13371672) has the molecular formula C18H25ClN8S2 and a molecular weight of 453.04 g/mol. Its IUPAC name is 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
PubChem CID13371672
Molecular FormulaC18H25ClN8S2
Molecular Weight453.04 g/mol
Exact Mass452.13
IUPAC Name4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
SMILESClc1nc2c(N3CCSCC3)nc(N3CCNCC3)nc2nc1N1CCSCC1
InChIInChI=1S/C18H25ClN8S2/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
InChIKeyCHOHNJBFJCQZAX-UHFFFAOYSA-N
XLogP1.59
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.04
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The IUPAC name of 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine (CID 13371672) is 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The canonical SMILES for 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine is Clc1nc2c(N3CCSCC3)nc(N3CCNCC3)nc2nc1N1CCSCC1.
What is the InChIKey of 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
The InChIKey is CHOHNJBFJCQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN8S2/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-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine?
4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine has a molecular weight of 453.04 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine is sourced from PubChem (CID 13371672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).