2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide

C19H33N5O3 — CID 16672106

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1nc(C)c(CC(=O)N(CCN(C)C)C2CCN(C)CC2)c(OC)n1
InChIInChI=1S/C19H33N5O3/c1-14-16(18(26-5)21-19(20-14)27-6)13-17(25)24(12-11-22(2)3)15-7-9-23(4)10-8-15/h15H,7-13H2,1-6H3
InChIKeyJISRTGGOIJBTKO-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.83
Rot. Bonds8

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 16672106) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID16672106
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1nc(C)c(CC(=O)N(CCN(C)C)C2CCN(C)CC2)c(OC)n1
InChIInChI=1S/C19H33N5O3/c1-14-16(18(26-5)21-19(20-14)27-6)13-17(25)24(12-11-22(2)3)15-7-9-23(4)10-8-15/h15H,7-13H2,1-6H3
InChIKeyJISRTGGOIJBTKO-UHFFFAOYSA-N
XLogP0.83
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide (CID 16672106) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide is COc1nc(C)c(CC(=O)N(CCN(C)C)C2CCN(C)CC2)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JISRTGGOIJBTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-14-16(18(26-5)21-19(20-14)27-6)13-17(25)24(12-11-22(2)3)15-7-9-23(4)10-8-15/h15H,7-13H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16672106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).