6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine

C16H23ClN8S — CID 13371682

IUPAC6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine
SMILESCN(C)c1nc2nc(N3CCNCC3)nc(N3CCSCC3)c2nc1Cl
InChIInChI=1S/C16H23ClN8S/c1-23(2)15-12(17)19-11-13(20-15)21-16(25-5-3-18-4-6-25)22-14(11)24-7-9-26-10-8-24/h18H,3-10H2,1-2H3
InChIKeyGNXIRONOIHUUOE-UHFFFAOYSA-N
MW394.94 g/mol
LogP1.10
Rot. Bonds3

About 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine

6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine (PubChem CID 13371682) has the molecular formula C16H23ClN8S and a molecular weight of 394.94 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine
PubChem CID13371682
Molecular FormulaC16H23ClN8S
Molecular Weight394.94 g/mol
Exact Mass394.15
IUPAC Name6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine
SMILESCN(C)c1nc2nc(N3CCNCC3)nc(N3CCSCC3)c2nc1Cl
InChIInChI=1S/C16H23ClN8S/c1-23(2)15-12(17)19-11-13(20-15)21-16(25-5-3-18-4-6-25)22-14(11)24-7-9-26-10-8-24/h18H,3-10H2,1-2H3
InChIKeyGNXIRONOIHUUOE-UHFFFAOYSA-N
XLogP1.10
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine (CID 13371682) is 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine is CN(C)c1nc2nc(N3CCNCC3)nc(N3CCSCC3)c2nc1Cl.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine?
The InChIKey is GNXIRONOIHUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN8S/c1-23(2)15-12(17)19-11-13(20-15)21-16(25-5-3-18-4-6-25)22-14(11)24-7-9-26-10-8-24/h18H,3-10H2,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine?
6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine has a molecular weight of 394.94 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine is sourced from PubChem (CID 13371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).