2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C7H6ClN3O2 — CID 86659277

IUPAC2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(Cl)nc2c1OCC(=O)N2
InChIInChI=1S/C7H6ClN3O2/c1-3-5-6(11-7(8)9-3)10-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12)
InChIKeyLCISHCJNEGTYHA-UHFFFAOYSA-N
MW199.60 g/mol
LogP0.77
Rot. Bonds

About 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 86659277) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID86659277
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(Cl)nc2c1OCC(=O)N2
InChIInChI=1S/C7H6ClN3O2/c1-3-5-6(11-7(8)9-3)10-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12)
InChIKeyLCISHCJNEGTYHA-UHFFFAOYSA-N
XLogP0.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 86659277) is 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is Cc1nc(Cl)nc2c1OCC(=O)N2.
What is the InChIKey of 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is LCISHCJNEGTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2/c1-3-5-6(11-7(8)9-3)10-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12).
What are the key properties of 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 199.60 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 86659277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).