2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C17H28N4O3 — CID 51505046

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C17H28N4O3/c1-5-13(11-21-8-6-7-9-21)19-15(22)10-14-12(2)18-17(24-4)20-16(14)23-3/h13H,5-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyKGHVUHNHOMEUIX-ZDUSSCGKSA-N
MW336.44 g/mol
LogP1.34
Rot. Bonds8

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51505046) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51505046
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C17H28N4O3/c1-5-13(11-21-8-6-7-9-21)19-15(22)10-14-12(2)18-17(24-4)20-16(14)23-3/h13H,5-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyKGHVUHNHOMEUIX-ZDUSSCGKSA-N
XLogP1.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.34
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-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51505046) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is KGHVUHNHOMEUIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-13(11-21-8-6-7-9-21)19-15(22)10-14-12(2)18-17(24-4)20-16(14)23-3/h13H,5-11H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.34, 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-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51505046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).