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

C15H17ClN4O3 — CID 122319306

IUPAC2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
SMILESCOc1ncc(NC(=O)COc2ccc(Cl)cc2)c(N(C)C)n1
InChIInChI=1S/C15H17ClN4O3/c1-20(2)14-12(8-17-15(19-14)22-3)18-13(21)9-23-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyJXNAMJMXDUCQIA-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.22
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide (PubChem CID 122319306) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
PubChem CID122319306
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
SMILESCOc1ncc(NC(=O)COc2ccc(Cl)cc2)c(N(C)C)n1
InChIInChI=1S/C15H17ClN4O3/c1-20(2)14-12(8-17-15(19-14)22-3)18-13(21)9-23-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyJXNAMJMXDUCQIA-UHFFFAOYSA-N
XLogP2.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.22
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
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
CID 122319316
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide (CID 122319306) is 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide is COc1ncc(NC(=O)COc2ccc(Cl)cc2)c(N(C)C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The InChIKey is JXNAMJMXDUCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-20(2)14-12(8-17-15(19-14)22-3)18-13(21)9-23-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide has a molecular weight of 336.78 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide is sourced from PubChem (CID 122319306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).