2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one

C12H15ClN4O2 — CID 86651570

IUPAC2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCC(C)N1C(=O)C2COCCN2c2nc(Cl)ncc21
InChIInChI=1S/C12H15ClN4O2/c1-7(2)17-8-5-14-12(13)15-10(8)16-3-4-19-6-9(16)11(17)18/h5,7,9H,3-4,6H2,1-2H3
InChIKeyTXOVNGBUNFNGML-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.09
Rot. Bonds1

About 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one

2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one (PubChem CID 86651570) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
PubChem CID86651570
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCC(C)N1C(=O)C2COCCN2c2nc(Cl)ncc21
InChIInChI=1S/C12H15ClN4O2/c1-7(2)17-8-5-14-12(13)15-10(8)16-3-4-19-6-9(16)11(17)18/h5,7,9H,3-4,6H2,1-2H3
InChIKeyTXOVNGBUNFNGML-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one with MolForge

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Related Compounds

5-benzyl-2-chloro-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86670114
2-chloro-5-[2-methyl-2-(oxan-2-yloxy)propyl]-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86651591
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947
(9R)-2-chloro-5-(cyclopropylmethyl)-9-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 87332085
[1-[(6aR)-2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]-4,4-dimethylpentan-3-yl]carbamic acid
CID 88868227
2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
CID 135151358
2-chloro-5-methyl-9-(2-oxocyclopentyl)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
CID 86617565
2-[4-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]phenyl]propan-2-ol
CID 88868223
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
2-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]benzamide
CID 86670096
(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489843
tert-butyl N-[4-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]cyclohexyl]carbamate
CID 88870035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one?
The IUPAC name of 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one (CID 86651570) is 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one.
What is the SMILES notation for 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one?
The canonical SMILES for 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one is CC(C)N1C(=O)C2COCCN2c2nc(Cl)ncc21.
What is the InChIKey of 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one?
The InChIKey is TXOVNGBUNFNGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-7(2)17-8-5-14-12(13)15-10(8)16-3-4-19-6-9(16)11(17)18/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one?
2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one has a molecular weight of 282.73 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one is sourced from PubChem (CID 86651570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).