[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate

C14H16N4O2 — CID 17122171

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate
SMILESCc1cc(C)nc(-n2nc(C)cc2OC(=O)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-12(7-10(3)17-18)20-13(19)11-4-5-11/h6-7,11H,4-5H2,1-3H3
InChIKeyCAHNCIHKGTUCSG-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.90
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate

[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate (PubChem CID 17122171) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate
PubChem CID17122171
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate
SMILESCc1cc(C)nc(-n2nc(C)cc2OC(=O)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-12(7-10(3)17-18)20-13(19)11-4-5-11/h6-7,11H,4-5H2,1-3H3
InChIKeyCAHNCIHKGTUCSG-UHFFFAOYSA-N
XLogP1.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] acetate
CID 17122164
2-O-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] 1-O-ethyl oxalate
CID 17122173
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] N-(3,4-dichlorophenyl)carbamate
CID 17122176
4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
CID 3242
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 56786553
1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
CID 166035459
[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl] cyclopentanecarboxylate
CID 42728117
[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9013763
1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 4974832
[3-[[4-[5-(cyclopentanecarbonyloxymethoxy)-3-methylpyrazol-1-yl]phenyl]methyl]-1-phenylpyrazol-5-yl]oxymethyl cyclohexanecarboxylate
CID 146422853

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate (CID 17122171) is [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate is Cc1cc(C)nc(-n2nc(C)cc2OC(=O)C2CC2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate?
The InChIKey is CAHNCIHKGTUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-12(7-10(3)17-18)20-13(19)11-4-5-11/h6-7,11H,4-5H2,1-3H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate?
[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] cyclopropanecarboxylate is sourced from PubChem (CID 17122171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).