4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine

C20H29ClN6O3 — CID 58054337

IUPAC4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine
SMILESCn1c(OC2CCN(C3CCOCC3)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C20H29ClN6O3/c1-25-17-16(18(24-19(21)23-17)27-8-12-29-13-9-27)22-20(25)30-15-2-6-26(7-3-15)14-4-10-28-11-5-14/h14-15H,2-13H2,1H3
InChIKeyZBVZQQQFTUJEFP-UHFFFAOYSA-N
MW436.94 g/mol
LogP1.88
Rot. Bonds4

About 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine

4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine (PubChem CID 58054337) has the molecular formula C20H29ClN6O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine
PubChem CID58054337
Molecular FormulaC20H29ClN6O3
Molecular Weight436.94 g/mol
Exact Mass436.20
IUPAC Name4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine
SMILESCn1c(OC2CCN(C3CCOCC3)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C20H29ClN6O3/c1-25-17-16(18(24-19(21)23-17)27-8-12-29-13-9-27)22-20(25)30-15-2-6-26(7-3-15)14-4-10-28-11-5-14/h14-15H,2-13H2,1H3
InChIKeyZBVZQQQFTUJEFP-UHFFFAOYSA-N
XLogP1.88
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine?
The IUPAC name of 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine (CID 58054337) is 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine?
The canonical SMILES for 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine is Cn1c(OC2CCN(C3CCOCC3)CC2)nc2c(N3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine?
The InChIKey is ZBVZQQQFTUJEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN6O3/c1-25-17-16(18(24-19(21)23-17)27-8-12-29-13-9-27)22-20(25)30-15-2-6-26(7-3-15)14-4-10-28-11-5-14/h14-15H,2-13H2,1H3.
What are the key properties of 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine?
4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine has a molecular weight of 436.94 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-9-methyl-8-[1-(oxan-4-yl)piperidin-4-yl]oxypurin-6-yl]morpholine is sourced from PubChem (CID 58054337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).