acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

C14H19N3O3 — CID 144611087

IUPACacetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCC(=O)OC(=O)c1c(C)nc(C)nc1C1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-8-12(14(19)20-10(3)18)13(17-9(2)16-8)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3
InChIKeyWMWUKINXHAOXNH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds2

About acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (PubChem CID 144611087) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameacetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
PubChem CID144611087
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameacetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCC(=O)OC(=O)c1c(C)nc(C)nc1C1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-8-12(14(19)20-10(3)18)13(17-9(2)16-8)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3
InChIKeyWMWUKINXHAOXNH-UHFFFAOYSA-N
XLogP1.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 140688887
1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride
CID 118378306
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
2-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-5-methyl-1,3,4-oxadiazole
CID 118391870
3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine
CID 82383284
methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
CID 178200025
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
4-cyclopropyl-2,5,6-trimethylpyrimidine
CID 163258333
4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82392231
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate
CID 20982073

Frequently Asked Questions

What is the IUPAC name of acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (CID 144611087) is acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is CC(=O)OC(=O)c1c(C)nc(C)nc1C1CCNCC1.
What is the InChIKey of acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The InChIKey is WMWUKINXHAOXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-12(14(19)20-10(3)18)13(17-9(2)16-8)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3.
What are the key properties of acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 144611087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).