4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide

C16H20N4O2 — CID 119753515

IUPAC4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(Oc2ncccn2)cc1C
InChIInChI=1S/C16H20N4O2/c1-12-11-13(22-16-18-9-4-10-19-16)6-7-14(12)20-15(21)5-3-8-17-2/h4,6-7,9-11,17H,3,5,8H2,1-2H3,(H,20,21)
InChIKeyNKCPMYANSRCYGB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.52
Rot. Bonds7

About 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide

4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide (PubChem CID 119753515) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
PubChem CID119753515
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccc(Oc2ncccn2)cc1C
InChIInChI=1S/C16H20N4O2/c1-12-11-13(22-16-18-9-4-10-19-16)6-7-14(12)20-15(21)5-3-8-17-2/h4,6-7,9-11,17H,3,5,8H2,1-2H3,(H,20,21)
InChIKeyNKCPMYANSRCYGB-UHFFFAOYSA-N
XLogP2.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methyl-4-pyrimidin-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122078035
3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
CID 48666767
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666930
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666812
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-4-oxobutanamide
CID 56583111
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide (CID 119753515) is 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide is CNCCCC(=O)Nc1ccc(Oc2ncccn2)cc1C.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide?
The InChIKey is NKCPMYANSRCYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-13(22-16-18-9-4-10-19-16)6-7-14(12)20-15(21)5-3-8-17-2/h4,6-7,9-11,17H,3,5,8H2,1-2H3,(H,20,21).
What are the key properties of 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide?
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide has a molecular weight of 300.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide is sourced from PubChem (CID 119753515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).