5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine

C17H20N8O2 — CID 25255761

IUPAC5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1
InChIInChI=1S/C17H20N8O2/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24/h7-8,10,12H,1-6,9H2,(H2,18,19,20)
InChIKeyZKQPPHLCBJSPKQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.66
Rot. Bonds3

About 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine

5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine (PubChem CID 25255761) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
PubChem CID25255761
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1
InChIInChI=1S/C17H20N8O2/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24/h7-8,10,12H,1-6,9H2,(H2,18,19,20)
InChIKeyZKQPPHLCBJSPKQ-UHFFFAOYSA-N
XLogP0.66
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine (CID 25255761) is 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOC2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine?
The InChIKey is ZKQPPHLCBJSPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c18-16-19-7-11(8-20-16)13-14-15(25(10-21-14)12-1-4-27-9-12)23-17(22-13)24-2-5-26-6-3-24/h7-8,10,12H,1-6,9H2,(H2,18,19,20).
What are the key properties of 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine?
5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine has a molecular weight of 368.40 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 25255761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).