2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide

C16H18N4O4 — CID 122319452

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc3c(c2)OCO3)c(N(C)C)n1
InChIInChI=1S/C16H18N4O4/c1-20(2)15-11(8-17-16(19-15)22-3)18-14(21)7-10-4-5-12-13(6-10)24-9-23-12/h4-6,8H,7,9H2,1-3H3,(H,18,21)
InChIKeyWRRROASXWPNCFR-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.46
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide (PubChem CID 122319452) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
PubChem CID122319452
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc3c(c2)OCO3)c(N(C)C)n1
InChIInChI=1S/C16H18N4O4/c1-20(2)15-11(8-17-16(19-15)22-3)18-14(21)7-10-4-5-12-13(6-10)24-9-23-12/h4-6,8H,7,9H2,1-3H3,(H,18,21)
InChIKeyWRRROASXWPNCFR-UHFFFAOYSA-N
XLogP1.46
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122302770
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
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
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
2-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 41107811
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide (CID 122319452) is 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide is COc1ncc(NC(=O)Cc2ccc3c(c2)OCO3)c(N(C)C)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
The InChIKey is WRRROASXWPNCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-20(2)15-11(8-17-16(19-15)22-3)18-14(21)7-10-4-5-12-13(6-10)24-9-23-12/h4-6,8H,7,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide is sourced from PubChem (CID 122319452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).