6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine

C20H23ClN6O2 — CID 175262107

IUPAC6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine
SMILESNc1nc2c(Cl)nc(-c3cccc(N4CCOCC4)c3)nc2n1C1CCCCO1
InChIInChI=1S/C20H23ClN6O2/c21-17-16-19(27(20(22)23-16)15-6-1-2-9-29-15)25-18(24-17)13-4-3-5-14(12-13)26-7-10-28-11-8-26/h3-5,12,15H,1-2,6-11H2,(H2,22,23)
InChIKeyFGTXCSHIIGMSGO-UHFFFAOYSA-N
MW414.90 g/mol
LogP3.26
Rot. Bonds3

About 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine

6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine (PubChem CID 175262107) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine.

Molecular Properties

Compound Name6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine
PubChem CID175262107
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine
SMILESNc1nc2c(Cl)nc(-c3cccc(N4CCOCC4)c3)nc2n1C1CCCCO1
InChIInChI=1S/C20H23ClN6O2/c21-17-16-19(27(20(22)23-16)15-6-1-2-9-29-15)25-18(24-17)13-4-3-5-14(12-13)26-7-10-28-11-8-26/h3-5,12,15H,1-2,6-11H2,(H2,22,23)
InChIKeyFGTXCSHIIGMSGO-UHFFFAOYSA-N
XLogP3.26
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine?
The IUPAC name of 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine (CID 175262107) is 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine.
What is the SMILES notation for 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine?
The canonical SMILES for 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine is Nc1nc2c(Cl)nc(-c3cccc(N4CCOCC4)c3)nc2n1C1CCCCO1.
What is the InChIKey of 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine?
The InChIKey is FGTXCSHIIGMSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c21-17-16-19(27(20(22)23-16)15-6-1-2-9-29-15)25-18(24-17)13-4-3-5-14(12-13)26-7-10-28-11-8-26/h3-5,12,15H,1-2,6-11H2,(H2,22,23).
What are the key properties of 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine?
6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine has a molecular weight of 414.90 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-morpholin-4-ylphenyl)-9-(oxan-2-yl)purin-8-amine is sourced from PubChem (CID 175262107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).