2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide

C15H17N3O2 — CID 122302193

IUPAC2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)13(19)18-11-9-16-14(17-10-11)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19)
InChIKeyUBOZWMFUUSLLIM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.25
Rot. Bonds3

About 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide

2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide (PubChem CID 122302193) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
PubChem CID122302193
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)13(19)18-11-9-16-14(17-10-11)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19)
InChIKeyUBOZWMFUUSLLIM-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide (CID 122302193) is 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide is CC(C)(C)C(=O)Nc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide?
The InChIKey is UBOZWMFUUSLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)13(19)18-11-9-16-14(17-10-11)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide?
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 122302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).