methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate

C18H22N4O6 — CID 3528773

IUPACmethyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C18H22N4O6/c1-10(2)14(17(24)27-5)22-16(23)15-11(7-6-8-19-15)28-18-20-12(25-3)9-13(21-18)26-4/h6-10,14H,1-5H3,(H,22,23)
InChIKeyDMYOODLWJKQVJP-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.61
Rot. Bonds8

About methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate

methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate (PubChem CID 3528773) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate
PubChem CID3528773
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Namemethyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C18H22N4O6/c1-10(2)14(17(24)27-5)22-16(23)15-11(7-6-8-19-15)28-18-20-12(25-3)9-13(21-18)26-4/h6-10,14H,1-5H3,(H,22,23)
InChIKeyDMYOODLWJKQVJP-UHFFFAOYSA-N
XLogP1.61
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 4642395
methyl (2S)-2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 20788857
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-chloroethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425856
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
(nonan-5-ylideneamino) 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14648785
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 59380981
prop-2-enyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-methylpentanoate
CID 20788816
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate
CID 15239990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate (CID 3528773) is methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1ncccc1Oc1nc(OC)cc(OC)n1)C(C)C.
What is the InChIKey of methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate?
The InChIKey is DMYOODLWJKQVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-10(2)14(17(24)27-5)22-16(23)15-11(7-6-8-19-15)28-18-20-12(25-3)9-13(21-18)26-4/h6-10,14H,1-5H3,(H,22,23).
What are the key properties of methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate?
methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate has a molecular weight of 390.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 3528773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).