2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid

C14H18N4O2 — CID 79218431

IUPAC2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cnn(C)c2)nc(CC)c1CC(=O)O
InChIInChI=1S/C14H18N4O2/c1-4-11-10(6-13(19)20)12(5-2)17-14(16-11)9-7-15-18(3)8-9/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyJVEIQZBXWSVFHU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds5

About 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid

2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid (PubChem CID 79218431) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
PubChem CID79218431
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cnn(C)c2)nc(CC)c1CC(=O)O
InChIInChI=1S/C14H18N4O2/c1-4-11-10(6-13(19)20)12(5-2)17-14(16-11)9-7-15-18(3)8-9/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyJVEIQZBXWSVFHU-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-Amino-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 146677528
2-(4-Ethyl-2-methoxypyrimidin-5-yl)acetic acid
CID 82657594
2-[3-Methyl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]acetic acid
CID 157531204
3-(5-fluoropyrimidin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CID 176181751
2-[4-Methyl-2-(1-methylpyrazol-4-yl)-6-(p-tolyl)pyrimidin-5-yl]pentanoic acid
CID 66955976
2-[1-(5-Fluoropyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 104606534
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150922
2-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 108152293
[3,5-dimethyl-1-(2-pyrimidinyl)-1H-pyrazol-4-yl]acetic acid
CID 43531782
2-(3,5-Dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)butanoic acid
CID 66938124
2-(2-Pentylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
CID 67918542
2-Methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid
CID 71273698

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid (CID 79218431) is 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid is CCc1nc(-c2cnn(C)c2)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is JVEIQZBXWSVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-11-10(6-13(19)20)12(5-2)17-14(16-11)9-7-15-18(3)8-9/h7-8H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79218431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).