2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C13H17Cl2N3O — CID 123204174

IUPAC2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESC=C(Cl)c1nc(Cl)nc2c1OCC(CC)N2CCC
InChIInChI=1S/C13H17Cl2N3O/c1-4-6-18-9(5-2)7-19-11-10(8(3)14)16-13(15)17-12(11)18/h9H,3-7H2,1-2H3
InChIKeyFUYCOMZQHJHFJL-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 123204174) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID123204174
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESC=C(Cl)c1nc(Cl)nc2c1OCC(CC)N2CCC
InChIInChI=1S/C13H17Cl2N3O/c1-4-6-18-9(5-2)7-19-11-10(8(3)14)16-13(15)17-12(11)18/h9H,3-7H2,1-2H3
InChIKeyFUYCOMZQHJHFJL-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 123204174) is 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is C=C(Cl)c1nc(Cl)nc2c1OCC(CC)N2CCC.
What is the InChIKey of 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is FUYCOMZQHJHFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-4-6-18-9(5-2)7-19-11-10(8(3)14)16-13(15)17-12(11)18/h9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 302.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-chloroethenyl)-7-ethyl-8-propyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 123204174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).