7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C20H24N6O3 — CID 123144528

IUPAC7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOCC1COc2cnc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc2N1C
InChIInChI=1S/C20H24N6O3/c1-13-9-26(12-22-13)16-6-5-14(7-17(16)28-4)23-20-21-8-18-19(24-20)25(2)15(10-27-3)11-29-18/h5-9,12,15H,10-11H2,1-4H3,(H,21,23,24)
InChIKeyGYZZHRPKJSDALE-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.57
Rot. Bonds6

About 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 123144528) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID123144528
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOCC1COc2cnc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc2N1C
InChIInChI=1S/C20H24N6O3/c1-13-9-26(12-22-13)16-6-5-14(7-17(16)28-4)23-20-21-8-18-19(24-20)25(2)15(10-27-3)11-29-18/h5-9,12,15H,10-11H2,1-4H3,(H,21,23,24)
InChIKeyGYZZHRPKJSDALE-UHFFFAOYSA-N
XLogP2.57
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

(7R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(phenoxymethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246283
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
[(7S)-2-chloro-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-yl]methanol;3-methoxy-4-(4-methylimidazol-1-yl)aniline;[(7S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-7-yl]methanol
CID 158096542
7-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238186
2-chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158741153
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-(4-methoxy-2-methylphenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238059
7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144890397
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
(7S)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144890302
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158948155
14-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2,10-dimethyl-4,7-dioxa-2,10,13,15-tetrazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 123926016
8-(2-cyclopropyl-4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051900

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 123144528) is 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COCC1COc2cnc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc2N1C.
What is the InChIKey of 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is GYZZHRPKJSDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-9-26(12-22-13)16-6-5-14(7-17(16)28-4)23-20-21-8-18-19(24-20)25(2)15(10-27-3)11-29-18/h5-9,12,15H,10-11H2,1-4H3,(H,21,23,24).
What are the key properties of 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 396.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 123144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).