2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide

C18H30N4O3 — CID 16674002

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C18H30N4O3/c1-5-14(12-22-9-7-6-8-10-22)20-16(23)11-15-13(2)19-18(25-4)21-17(15)24-3/h14H,5-12H2,1-4H3,(H,20,23)
InChIKeyHOYRERXXSQWLOX-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.73
Rot. Bonds8

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (PubChem CID 16674002) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
PubChem CID16674002
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C18H30N4O3/c1-5-14(12-22-9-7-6-8-10-22)20-16(23)11-15-13(2)19-18(25-4)21-17(15)24-3/h14H,5-12H2,1-4H3,(H,20,23)
InChIKeyHOYRERXXSQWLOX-UHFFFAOYSA-N
XLogP1.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (CID 16674002) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide is CCC(CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The InChIKey is HOYRERXXSQWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-14(12-22-9-7-6-8-10-22)20-16(23)11-15-13(2)19-18(25-4)21-17(15)24-3/h14H,5-12H2,1-4H3,(H,20,23).
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 16674002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).