1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea

C22H32N6O3 — CID 146553726

IUPAC1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea
SMILESCCOc1nc(C)cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)nn2)c1C
InChIInChI=1S/C22H32N6O3/c1-7-30-21-17(6)19(9-14(3)24-21)25-22(29)23-10-18-8-13(2)20(27-26-18)28-11-15(4)31-16(5)12-28/h8-9,15-16H,7,10-12H2,1-6H3,(H2,23,24,25,29)
InChIKeyGOFIOUKLNQKFEF-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.13
Rot. Bonds6

About 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea

1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea (PubChem CID 146553726) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea
PubChem CID146553726
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea
SMILESCCOc1nc(C)cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)nn2)c1C
InChIInChI=1S/C22H32N6O3/c1-7-30-21-17(6)19(9-14(3)24-21)25-22(29)23-10-18-8-13(2)20(27-26-18)28-11-15(4)31-16(5)12-28/h8-9,15-16H,7,10-12H2,1-6H3,(H2,23,24,25,29)
InChIKeyGOFIOUKLNQKFEF-UHFFFAOYSA-N
XLogP3.13
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea (CID 146553726) is 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea is CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)nn2)c1C.
What is the InChIKey of 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea?
The InChIKey is GOFIOUKLNQKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-7-30-21-17(6)19(9-14(3)24-21)25-22(29)23-10-18-8-13(2)20(27-26-18)28-11-15(4)31-16(5)12-28/h8-9,15-16H,7,10-12H2,1-6H3,(H2,23,24,25,29).
What are the key properties of 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea?
1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea has a molecular weight of 428.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,6-dimethylmorpholin-4-yl)-5-methylpyridazin-3-yl]methyl]-3-(2-ethoxy-3,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 146553726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).