N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide

C20H26N4O2 — CID 110225613

IUPACN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(2)18-12-16(21-20(23-18)15-9-10-15)11-17(22-19(25)13-26-3)14-7-5-4-6-8-14/h4-8,12,15,17H,9-11,13H2,1-3H3,(H,22,25)
InChIKeyILIAITVWNHYJBI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.47
Rot. Bonds8

About N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide

N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide (PubChem CID 110225613) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
PubChem CID110225613
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(2)18-12-16(21-20(23-18)15-9-10-15)11-17(22-19(25)13-26-3)14-7-5-4-6-8-14/h4-8,12,15,17H,9-11,13H2,1-3H3,(H,22,25)
InChIKeyILIAITVWNHYJBI-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 92560515
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110243936
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 110225630
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
CID 110225619
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 92610348
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
CID 92610313
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 92560528
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide (CID 110225613) is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide is COCC(=O)NC(Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1.
What is the InChIKey of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide?
The InChIKey is ILIAITVWNHYJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(2)18-12-16(21-20(23-18)15-9-10-15)11-17(22-19(25)13-26-3)14-7-5-4-6-8-14/h4-8,12,15,17H,9-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide?
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide is sourced from PubChem (CID 110225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).