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

C7H6ClN3O2 — CID 608089

IUPAC4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(Cl)c2c(n1)NC(=O)CO2
InChIInChI=1S/C7H6ClN3O2/c1-3-9-6(8)5-7(10-3)11-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12)
InChIKeyRTTOTCBXASAAPS-UHFFFAOYSA-N
MW199.60 g/mol
LogP0.77
Rot. Bonds

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

4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 608089) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID608089
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(Cl)c2c(n1)NC(=O)CO2
InChIInChI=1S/C7H6ClN3O2/c1-3-9-6(8)5-7(10-3)11-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12)
InChIKeyRTTOTCBXASAAPS-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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Related Compounds

2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86659277
4-chloro-2-[(E)-2-phenylethenyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 59138887
2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 14638232
7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 139270783
4-chloro-2-(3-fluorophenyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86671766
7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500148
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
ethyl 4-chloro-2,7-dimethyl-8H-pyrimido[5,4-b][1,4]oxazine-6-carboxylate
CID 23739763
4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
CID 66908669
4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67939026
6-chloro-8-methoxy-4H-1,4-benzoxazin-3-one
CID 131059533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 608089) is 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is Cc1nc(Cl)c2c(n1)NC(=O)CO2.
What is the InChIKey of 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is RTTOTCBXASAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2/c1-3-9-6(8)5-7(10-3)11-4(12)2-13-5/h2H2,1H3,(H,9,10,11,12).
What are the key properties of 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
4-chloro-2-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 4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 608089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).