4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one

C21H27N7O4 — CID 46240632

IUPAC4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESNc1nc(OCC2CCCO2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H27N7O4/c22-19-18-20(26-21(25-19)32-13-15-2-1-7-31-15)28(12-17(29)24-18)11-14-3-4-23-16(10-14)27-5-8-30-9-6-27/h3-4,10,15H,1-2,5-9,11-13H2,(H,24,29)(H2,22,25,26)
InChIKeyQFBMHKQKCOJZIM-UHFFFAOYSA-N
MW441.49 g/mol
LogP0.81
Rot. Bonds6

About 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one

4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one (PubChem CID 46240632) has the molecular formula C21H27N7O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
PubChem CID46240632
Molecular FormulaC21H27N7O4
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESNc1nc(OCC2CCCO2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H27N7O4/c22-19-18-20(26-21(25-19)32-13-15-2-1-7-31-15)28(12-17(29)24-18)11-14-3-4-23-16(10-14)27-5-8-30-9-6-27/h3-4,10,15H,1-2,5-9,11-13H2,(H,24,29)(H2,22,25,26)
InChIKeyQFBMHKQKCOJZIM-UHFFFAOYSA-N
XLogP0.81
TPSA127.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one (CID 46240632) is 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one is Nc1nc(OCC2CCCO2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
The InChIKey is QFBMHKQKCOJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O4/c22-19-18-20(26-21(25-19)32-13-15-2-1-7-31-15)28(12-17(29)24-18)11-14-3-4-23-16(10-14)27-5-8-30-9-6-27/h3-4,10,15H,1-2,5-9,11-13H2,(H,24,29)(H2,22,25,26).
What are the key properties of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one?
4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one has a molecular weight of 441.49 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 46240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).