2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide

C16H17N3O4 — CID 122302770

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1
InChIInChI=1S/C16H17N3O4/c1-9-15(10(2)18-16(17-9)21-3)19-14(20)7-11-4-5-12-13(6-11)23-8-22-12/h4-6H,7-8H2,1-3H3,(H,19,20)
InChIKeyOGZDHGUBPIMDJY-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.01
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide (PubChem CID 122302770) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
PubChem CID122302770
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1
InChIInChI=1S/C16H17N3O4/c1-9-15(10(2)18-16(17-9)21-3)19-14(20)7-11-4-5-12-13(6-11)23-8-22-12/h4-6H,7-8H2,1-3H3,(H,19,20)
InChIKeyOGZDHGUBPIMDJY-UHFFFAOYSA-N
XLogP2.01
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319452
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
2-(1,3-benzodioxol-5-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287056
2-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 41107811
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
2-(1,3-benzodioxol-5-yl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 41107549
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110767985

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide (CID 122302770) is 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide is COc1nc(C)c(NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The InChIKey is OGZDHGUBPIMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-15(10(2)18-16(17-9)21-3)19-14(20)7-11-4-5-12-13(6-11)23-8-22-12/h4-6H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122302770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).