2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C8H10ClN3O — CID 118238243

IUPAC2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCC1COc2cnc(Cl)nc2N1C
InChIInChI=1S/C8H10ClN3O/c1-5-4-13-6-3-10-8(9)11-7(6)12(5)2/h3,5H,4H2,1-2H3
InChIKeyIQASLTHXKUKDQF-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.35
Rot. Bonds

About 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118238243) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118238243
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCC1COc2cnc(Cl)nc2N1C
InChIInChI=1S/C8H10ClN3O/c1-5-4-13-6-3-10-8(9)11-7(6)12(5)2/h3,5H,4H2,1-2H3
InChIKeyIQASLTHXKUKDQF-UHFFFAOYSA-N
XLogP1.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118238243) is 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CC1COc2cnc(Cl)nc2N1C.
What is the InChIKey of 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is IQASLTHXKUKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-5-4-13-6-3-10-8(9)11-7(6)12(5)2/h3,5H,4H2,1-2H3.
What are the key properties of 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 199.64 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118238243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).