(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol

C7H8ClN3O2 — CID 126590838

IUPAC(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol
SMILESCN1c2nc(Cl)ncc2OC[C@@H]1O
InChIInChI=1S/C7H8ClN3O2/c1-11-5(12)3-13-4-2-9-7(8)10-6(4)11/h2,5,12H,3H2,1H3/t5-/m0/s1
InChIKeyVXPUYILAHDVGFF-YFKPBYRVSA-N
MW201.61 g/mol
LogP0.28
Rot. Bonds

About (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol

(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol (PubChem CID 126590838) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol.

Molecular Properties

Compound Name(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol
PubChem CID126590838
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol
SMILESCN1c2nc(Cl)ncc2OC[C@@H]1O
InChIInChI=1S/C7H8ClN3O2/c1-11-5(12)3-13-4-2-9-7(8)10-6(4)11/h2,5,12H,3H2,1H3/t5-/m0/s1
InChIKeyVXPUYILAHDVGFF-YFKPBYRVSA-N
XLogP0.28
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol?
The IUPAC name of (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol (CID 126590838) is (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol.
What is the SMILES notation for (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol?
The canonical SMILES for (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol is CN1c2nc(Cl)ncc2OC[C@@H]1O.
What is the InChIKey of (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol?
The InChIKey is VXPUYILAHDVGFF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-11-5(12)3-13-4-2-9-7(8)10-6(4)11/h2,5,12H,3H2,1H3/t5-/m0/s1.
What are the key properties of (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol?
(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol has a molecular weight of 201.61 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-ol is sourced from PubChem (CID 126590838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).