N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide

C16H20N4O3 — CID 122319473

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
SMILESCOc1ncc(NC(=O)COCc2ccccc2)c(N(C)C)n1
InChIInChI=1S/C16H20N4O3/c1-20(2)15-13(9-17-16(19-15)22-3)18-14(21)11-23-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyCALPRMCBZWQVDR-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.71
Rot. Bonds7

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide (PubChem CID 122319473) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
PubChem CID122319473
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
SMILESCOc1ncc(NC(=O)COCc2ccccc2)c(N(C)C)n1
InChIInChI=1S/C16H20N4O3/c1-20(2)15-13(9-17-16(19-15)22-3)18-14(21)11-23-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyCALPRMCBZWQVDR-UHFFFAOYSA-N
XLogP1.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
CID 167327397
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
CID 122319316
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122319413
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide (CID 122319473) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide is COc1ncc(NC(=O)COCc2ccccc2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide?
The InChIKey is CALPRMCBZWQVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20(2)15-13(9-17-16(19-15)22-3)18-14(21)11-23-10-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide has a molecular weight of 316.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122319473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).