2-(6-methylpyrimidin-4-yl)oxypropanoic acid

C8H10N2O3 — CID 82407957

IUPAC2-(6-methylpyrimidin-4-yl)oxypropanoic acid
SMILESCc1cc(OC(C)C(=O)O)ncn1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(10-4-9-5)13-6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKeyDNVMRCWQUAMUNB-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.64
Rot. Bonds3

About 2-(6-methylpyrimidin-4-yl)oxypropanoic acid

2-(6-methylpyrimidin-4-yl)oxypropanoic acid (PubChem CID 82407957) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)oxypropanoic acid
PubChem CID82407957
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(6-methylpyrimidin-4-yl)oxypropanoic acid
SMILESCc1cc(OC(C)C(=O)O)ncn1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(10-4-9-5)13-6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKeyDNVMRCWQUAMUNB-UHFFFAOYSA-N
XLogP0.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)oxypropanoic acid?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)oxypropanoic acid (CID 82407957) is 2-(6-methylpyrimidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)oxypropanoic acid?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)oxypropanoic acid is Cc1cc(OC(C)C(=O)O)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)oxypropanoic acid?
The InChIKey is DNVMRCWQUAMUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-7(10-4-9-5)13-6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 2-(6-methylpyrimidin-4-yl)oxypropanoic acid?
2-(6-methylpyrimidin-4-yl)oxypropanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 82407957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).