4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C12H16N4O2 — CID 71770668

IUPAC4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESNc1ncnc2c1C(=O)N(C1CCCC1)CCO2
InChIInChI=1S/C12H16N4O2/c13-10-9-11(15-7-14-10)18-6-5-16(12(9)17)8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15)
InChIKeyQZUCYGALGIIQQM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.84
Rot. Bonds1

About 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 71770668) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID71770668
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESNc1ncnc2c1C(=O)N(C1CCCC1)CCO2
InChIInChI=1S/C12H16N4O2/c13-10-9-11(15-7-14-10)18-6-5-16(12(9)17)8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15)
InChIKeyQZUCYGALGIIQQM-UHFFFAOYSA-N
XLogP0.84
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-6-(4-bromo-3-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 144792146
4-amino-6-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71771030
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]-N-ethylacetamide
CID 68581205
4-amino-6-[1-(2-cyclopentyloxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763363
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)-3-fluorophenyl]cyclohexyl]acetic acid
CID 59302526
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohex-3-en-1-yl]propanoic acid
CID 68582217
4-amino-6-[1-(3,5-dichlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763290
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]-N-(N-hydroxy-C-methylcarbonimidoyl)acetamide
CID 173098283
3-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]-2-chlorobenzonitrile
CID 90668347
4-amino-6-(1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;ethane
CID 160997517
4-amino-6-[1-(2-hydroxy-2-methylpropyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763146
4-amino-6-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763508

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 71770668) is 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is Nc1ncnc2c1C(=O)N(C1CCCC1)CCO2.
What is the InChIKey of 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is QZUCYGALGIIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-10-9-11(15-7-14-10)18-6-5-16(12(9)17)8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15).
What are the key properties of 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 248.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopentyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 71770668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).