N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide

C17H28N4O3 — CID 122191182

IUPACN-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCCCC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H28N4O3/c1-17(2,3)11-12(22)18-13-14(23-4)19-16(20-15(13)24-5)21-9-7-6-8-10-21/h6-11H2,1-5H3,(H,18,22)
InChIKeyOUJIRFWVPYPTHO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.86
Rot. Bonds5

About N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide

N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide (PubChem CID 122191182) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide
PubChem CID122191182
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCCCC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H28N4O3/c1-17(2,3)11-12(22)18-13-14(23-4)19-16(20-15(13)24-5)21-9-7-6-8-10-21/h6-11H2,1-5H3,(H,18,22)
InChIKeyOUJIRFWVPYPTHO-UHFFFAOYSA-N
XLogP2.86
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide (CID 122191182) is N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide is COc1nc(N2CCCCC2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide?
The InChIKey is OUJIRFWVPYPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,3)11-12(22)18-13-14(23-4)19-16(20-15(13)24-5)21-9-7-6-8-10-21/h6-11H2,1-5H3,(H,18,22).
What are the key properties of N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide?
N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide has a molecular weight of 336.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 122191182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).