9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine

C23H25N7O2S — CID 155512420

IUPAC9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine
SMILESc1csc(Oc2ccc(Nc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)n1
InChIInChI=1S/C23H25N7O2S/c1-2-4-17(3-1)30-15-25-19-20(27-22(28-21(19)30)29-10-12-31-13-11-29)26-16-5-7-18(8-6-16)32-23-24-9-14-33-23/h5-9,14-15,17H,1-4,10-13H2,(H,26,27,28)
InChIKeyZFOOHCKOTXDSBU-UHFFFAOYSA-N
MW463.57 g/mol
LogP4.77
Rot. Bonds6

About 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine

9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine (PubChem CID 155512420) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine
PubChem CID155512420
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine
SMILESc1csc(Oc2ccc(Nc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)n1
InChIInChI=1S/C23H25N7O2S/c1-2-4-17(3-1)30-15-25-19-20(27-22(28-21(19)30)29-10-12-31-13-11-29)26-16-5-7-18(8-6-16)32-23-24-9-14-33-23/h5-9,14-15,17H,1-4,10-13H2,(H,26,27,28)
InChIKeyZFOOHCKOTXDSBU-UHFFFAOYSA-N
XLogP4.77
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine?
The IUPAC name of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine (CID 155512420) is 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine?
The canonical SMILES for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine is c1csc(Oc2ccc(Nc3nc(N4CCOCC4)nc4c3ncn4C3CCCC3)cc2)n1.
What is the InChIKey of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine?
The InChIKey is ZFOOHCKOTXDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-2-4-17(3-1)30-15-25-19-20(27-22(28-21(19)30)29-10-12-31-13-11-29)26-16-5-7-18(8-6-16)32-23-24-9-14-33-23/h5-9,14-15,17H,1-4,10-13H2,(H,26,27,28).
What are the key properties of 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine?
9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine has a molecular weight of 463.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine is sourced from PubChem (CID 155512420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).