N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine

C20H23FN6O — CID 126590781

IUPACN-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine
SMILESCc1cn(-c2ccc(Nc3ncc4c(n3)N(C)CCCCCO4)cc2F)cn1
InChIInChI=1S/C20H23FN6O/c1-14-12-27(13-23-14)17-7-6-15(10-16(17)21)24-20-22-11-18-19(25-20)26(2)8-4-3-5-9-28-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24,25)
InChIKeyZMAJQKPIBMKYRY-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.85
Rot. Bonds3

About N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine

N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine (PubChem CID 126590781) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine
PubChem CID126590781
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC NameN-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine
SMILESCc1cn(-c2ccc(Nc3ncc4c(n3)N(C)CCCCCO4)cc2F)cn1
InChIInChI=1S/C20H23FN6O/c1-14-12-27(13-23-14)17-7-6-15(10-16(17)21)24-20-22-11-18-19(25-20)26(2)8-4-3-5-9-28-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24,25)
InChIKeyZMAJQKPIBMKYRY-UHFFFAOYSA-N
XLogP3.85
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(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
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144841193
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-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051836
7-(2,4-difluorophenyl)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246089
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethoxy)penta-1,3-dien-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123216198
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144841201
7-(2-chloro-4-fluorophenyl)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246396
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-[5-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246070
cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890322
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

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine?
The IUPAC name of N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine (CID 126590781) is N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine.
What is the SMILES notation for N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine?
The canonical SMILES for N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine is Cc1cn(-c2ccc(Nc3ncc4c(n3)N(C)CCCCCO4)cc2F)cn1.
What is the InChIKey of N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine?
The InChIKey is ZMAJQKPIBMKYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-14-12-27(13-23-14)17-7-6-15(10-16(17)21)24-20-22-11-18-19(25-20)26(2)8-4-3-5-9-28-18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24,25).
What are the key properties of N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine?
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine has a molecular weight of 382.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-11-methyl-7,8,9,10-tetrahydro-6H-pyrimido[5,4-b][1,4]oxazonin-2-amine is sourced from PubChem (CID 126590781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).