N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H19N5O3 — CID 122322239

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C18H19N5O3/c1-11-8-15(22(2)3)21-14(20-11)9-19-16(24)10-23-17(25)12-6-4-5-7-13(12)18(23)26/h4-8H,9-10H2,1-3H3,(H,19,24)
InChIKeyWOLXIHWMPPMMNX-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.76
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 122322239) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID122322239
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C18H19N5O3/c1-11-8-15(22(2)3)21-14(20-11)9-19-16(24)10-23-17(25)12-6-4-5-7-13(12)18(23)26/h4-8H,9-10H2,1-3H3,(H,19,24)
InChIKeyWOLXIHWMPPMMNX-UHFFFAOYSA-N
XLogP0.76
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 122322239) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(N(C)C)nc(CNC(=O)CN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is WOLXIHWMPPMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-8-15(22(2)3)21-14(20-11)9-19-16(24)10-23-17(25)12-6-4-5-7-13(12)18(23)26/h4-8H,9-10H2,1-3H3,(H,19,24).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 122322239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).