N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide

C17H21N3O3 — CID 133348014

IUPACN-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
SMILESCOCc1nc(C)cc(Oc2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)17(21)19-13-5-7-14(8-6-13)23-16-9-12(3)18-15(20-16)10-22-4/h5-9,11H,10H2,1-4H3,(H,19,21)
InChIKeyACYHPFOWODOCNV-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide

N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide (PubChem CID 133348014) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
PubChem CID133348014
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
SMILESCOCc1nc(C)cc(Oc2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)17(21)19-13-5-7-14(8-6-13)23-16-9-12(3)18-15(20-16)10-22-4/h5-9,11H,10H2,1-4H3,(H,19,21)
InChIKeyACYHPFOWODOCNV-UHFFFAOYSA-N
XLogP3.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfamoyl]phenyl]acetamide
CID 163729231
dimethyl 4-[4-(2-methylpropanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321663
2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
CID 133348025
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391449
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide
CID 133419312
methyl 4-(4-iodophenoxy)-6-methylpyrimidine-2-carboxylate
CID 66284803
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide (CID 133348014) is N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide is COCc1nc(C)cc(Oc2ccc(NC(=O)C(C)C)cc2)n1.
What is the InChIKey of N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide?
The InChIKey is ACYHPFOWODOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)17(21)19-13-5-7-14(8-6-13)23-16-9-12(3)18-15(20-16)10-22-4/h5-9,11H,10H2,1-4H3,(H,19,21).
What are the key properties of N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide?
N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide has a molecular weight of 315.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 133348014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).