N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C22H19ClN6O2 — CID 118051818

IUPACN-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C22H19ClN6O2/c1-30-18-11-15(7-8-17(18)28-13-20(23)25-14-28)26-22-24-12-19-21(27-22)29(9-10-31-19)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,24,26,27)
InChIKeyXEHVTMMJLVMNQO-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118051818) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118051818
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC NameN-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(Cl)c1
InChIInChI=1S/C22H19ClN6O2/c1-30-18-11-15(7-8-17(18)28-13-20(23)25-14-28)26-22-24-12-19-21(27-22)29(9-10-31-19)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,24,26,27)
InChIKeyXEHVTMMJLVMNQO-UHFFFAOYSA-N
XLogP4.60
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144841197
8-[4-fluoro-2-(trifluoromethoxy)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050548
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
2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane];4-(4-chloroimidazol-1-yl)-3-methoxyaniline;N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]-2-amine
CID 157468337
(7R)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-4-(azetidin-1-yl)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 157379429
(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
2-chloro-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
CID 158772352
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051836
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110101
[(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-(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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118051818) is N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(Cl)c1.
What is the InChIKey of N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is XEHVTMMJLVMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-30-18-11-15(7-8-17(18)28-13-20(23)25-14-28)26-22-24-12-19-21(27-22)29(9-10-31-19)16-5-3-2-4-6-16/h2-8,11-14H,9-10H2,1H3,(H,24,26,27).
What are the key properties of N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 434.89 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118051818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).