N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide

C18H30N4O3 — CID 16672078

IUPACN-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1nc(C)c(CC(=O)N(CCN(C)C)C2CCCC2)c(OC)n1
InChIInChI=1S/C18H30N4O3/c1-13-15(17(24-4)20-18(19-13)25-5)12-16(23)22(11-10-21(2)3)14-8-6-7-9-14/h14H,6-12H2,1-5H3
InChIKeyHAFWESSQXOUNGP-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.68
Rot. Bonds8

About N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide

N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 16672078) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID16672078
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1nc(C)c(CC(=O)N(CCN(C)C)C2CCCC2)c(OC)n1
InChIInChI=1S/C18H30N4O3/c1-13-15(17(24-4)20-18(19-13)25-5)12-16(23)22(11-10-21(2)3)14-8-6-7-9-14/h14H,6-12H2,1-5H3
InChIKeyHAFWESSQXOUNGP-UHFFFAOYSA-N
XLogP1.68
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 46955322
2-(2,4-Diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 46955323
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46966341
2-(2,4-Diethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46966344
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-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 46981961
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 16672078) is N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide is COc1nc(C)c(CC(=O)N(CCN(C)C)C2CCCC2)c(OC)n1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is HAFWESSQXOUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-13-15(17(24-4)20-18(19-13)25-5)12-16(23)22(11-10-21(2)3)14-8-6-7-9-14/h14H,6-12H2,1-5H3.
What are the key properties of N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide?
N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 16672078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).