2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid

C13H16N4O3 — CID 157067318

IUPAC2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C
InChIInChI=1S/C13H16N4O3/c1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyNHDVHUWRTZPRSR-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.56
Rot. Bonds5

About 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid

2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid (PubChem CID 157067318) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
PubChem CID157067318
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C
InChIInChI=1S/C13H16N4O3/c1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyNHDVHUWRTZPRSR-UHFFFAOYSA-N
XLogP1.56
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid (CID 157067318) is 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid is Cc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C.
What is the InChIKey of 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is NHDVHUWRTZPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid?
2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 276.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 157067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).