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

C21H25N7O2 — CID 123938484

IUPAC7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(C2CCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C21H25N7O2/c1-13-10-28(12-24-13)19-17(29-3)7-15(8-22-19)25-21-23-9-18-20(26-21)27(2)16(11-30-18)14-5-4-6-14/h7-10,12,14,16H,4-6,11H2,1-3H3,(H,23,25,26)
InChIKeyTUQAGCNKOLPQNU-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.12
Rot. Bonds5

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

7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 123938484) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID123938484
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(C2CCC2)CO3)cnc1-n1cnc(C)c1
InChIInChI=1S/C21H25N7O2/c1-13-10-28(12-24-13)19-17(29-3)7-15(8-22-19)25-21-23-9-18-20(26-21)27(2)16(11-30-18)14-5-4-6-14/h7-10,12,14,16H,4-6,11H2,1-3H3,(H,23,25,26)
InChIKeyTUQAGCNKOLPQNU-UHFFFAOYSA-N
XLogP3.12
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 123938484) is 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(C)C(C2CCC2)CO3)cnc1-n1cnc(C)c1.
What is the InChIKey of 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is TUQAGCNKOLPQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-13-10-28(12-24-13)19-17(29-3)7-15(8-22-19)25-21-23-9-18-20(26-21)27(2)16(11-30-18)14-5-4-6-14/h7-10,12,14,16H,4-6,11H2,1-3H3,(H,23,25,26).
What are the key properties of 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 407.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 123938484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).