2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide

C20H19N3O2 — CID 51122601

IUPAC2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2ccccc2OCCc2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-21-13-11-18(22-15)20(24)23-17-9-5-6-10-19(17)25-14-12-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,23,24)
InChIKeyNBFQTEDEMUSAFT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.66
Rot. Bonds6

About 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide

2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 51122601) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID51122601
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2ccccc2OCCc2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-21-13-11-18(22-15)20(24)23-17-9-5-6-10-19(17)25-14-12-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,23,24)
InChIKeyNBFQTEDEMUSAFT-UHFFFAOYSA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 131902671
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
6-N-(2-methoxyphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098461
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
1-(2-hydroxyethyl)-1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 111431297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide (CID 51122601) is 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)Nc2ccccc2OCCc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is NBFQTEDEMUSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-21-13-11-18(22-15)20(24)23-17-9-5-6-10-19(17)25-14-12-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,23,24).
What are the key properties of 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide?
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 51122601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).