(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone

C13H10ClN3O2 — CID 118056323

IUPAC(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOc2cnc(Cl)nc21
InChIInChI=1S/C13H10ClN3O2/c14-13-15-8-10-11(16-13)17(6-7-19-10)12(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyFSODZKLPWNWCBB-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.17
Rot. Bonds1

About (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone

(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone (PubChem CID 118056323) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone
PubChem CID118056323
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOc2cnc(Cl)nc21
InChIInChI=1S/C13H10ClN3O2/c14-13-15-8-10-11(16-13)17(6-7-19-10)12(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyFSODZKLPWNWCBB-UHFFFAOYSA-N
XLogP2.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone?
The IUPAC name of (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone (CID 118056323) is (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone.
What is the SMILES notation for (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone?
The canonical SMILES for (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone is O=C(c1ccccc1)N1CCOc2cnc(Cl)nc21.
What is the InChIKey of (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone?
The InChIKey is FSODZKLPWNWCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-13-15-8-10-11(16-13)17(6-7-19-10)12(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone?
(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone has a molecular weight of 275.69 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone is sourced from PubChem (CID 118056323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).