5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

C6H4ClN3O2 — CID 166848736

IUPAC5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESO=C1Nc2ncnc(Cl)c2CO1
InChIInChI=1S/C6H4ClN3O2/c7-4-3-1-12-6(11)10-5(3)9-2-8-4/h2H,1H2,(H,8,9,10,11)
InChIKeySGRNKHCJUOXZIL-UHFFFAOYSA-N
MW185.57 g/mol
LogP1.19
Rot. Bonds

About 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 166848736) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID166848736
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Name5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESO=C1Nc2ncnc(Cl)c2CO1
InChIInChI=1S/C6H4ClN3O2/c7-4-3-1-12-6(11)10-5(3)9-2-8-4/h2H,1H2,(H,8,9,10,11)
InChIKeySGRNKHCJUOXZIL-UHFFFAOYSA-N
XLogP1.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-4-(trifluoromethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041457
(4R)-5-chloro-4-(trifluoromethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041820
(4R)-5-chloro-4-(difluoromethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042036
7-Chloro-1H-pyrimido[4,5-d][1,3]oxazin-2(4H)-one
CID 122637436
1,4-Dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 126508650
(S)-5-Chloro-4-methyl-1H-pyrimido[4,5-d][1,3]oxazin-2(4H)-one
CID 154663211
(4R)-5-chloro-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 154663245
5-Chloro-4-methyl-1H-pyrimido[4,5-d][1,3]oxazin-2(4H)-one
CID 156693982
(4R)-5-chloro-4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041764
5-Chloro-4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042018
(4S)-5-chloro-4-ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042263

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (CID 166848736) is 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is O=C1Nc2ncnc(Cl)c2CO1.
What is the InChIKey of 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is SGRNKHCJUOXZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c7-4-3-1-12-6(11)10-5(3)9-2-8-4/h2H,1H2,(H,8,9,10,11).
What are the key properties of 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 185.57 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 166848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).