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

C17H28N4O3 — CID 46966863

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCCC(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)
InChIKeyKGHVUHNHOMEUIX-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.34
Rot. Bonds8

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

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide (PubChem CID 46966863) 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-(1-pyrrolidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
PubChem CID46966863
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCCC(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)
InChIKeyKGHVUHNHOMEUIX-UHFFFAOYSA-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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Related Compounds

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 46963844
N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 16672078
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide
CID 16673946
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673954
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674002
2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118389332
1-(4-methoxy-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138666175
(5S)-5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 156822300
5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 166692681
2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 171808421
4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 171808434

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide (CID 46966863) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide is CCC(CN1CCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The InChIKey is KGHVUHNHOMEUIX-UHFFFAOYSA-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).
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(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-(1-pyrrolidin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 46966863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).