2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide

C16H23N5O3 — CID 46963844

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
SMILESCOc1nc(C)c(CC(=O)NC(C)c2c(C)n[nH]c2C)c(OC)n1
InChIInChI=1S/C16H23N5O3/c1-8-12(15(23-5)19-16(18-8)24-6)7-13(22)17-9(2)14-10(3)20-21-11(14)4/h9H,7H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyZMNYPDYKVDWQJX-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.56
Rot. Bonds6

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 46963844) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID46963844
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
SMILESCOc1nc(C)c(CC(=O)NC(C)c2c(C)n[nH]c2C)c(OC)n1
InChIInChI=1S/C16H23N5O3/c1-8-12(15(23-5)19-16(18-8)24-6)7-13(22)17-9(2)14-10(3)20-21-11(14)4/h9H,7H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyZMNYPDYKVDWQJX-UHFFFAOYSA-N
XLogP1.56
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674002
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 46966863
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 51498190
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 51498191
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499922
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499924
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505046
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505048

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide (CID 46963844) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide is COc1nc(C)c(CC(=O)NC(C)c2c(C)n[nH]c2C)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is ZMNYPDYKVDWQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-8-12(15(23-5)19-16(18-8)24-6)7-13(22)17-9(2)14-10(3)20-21-11(14)4/h9H,7H2,1-6H3,(H,17,22)(H,20,21).
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 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-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 46963844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).