acetic acid;pyrimidine

C6H8N2O2 — CID 15758414

IUPACacetic acid;pyrimidine
SMILESCC(=O)O.c1cncnc1
InChIInChI=1S/C4H4N2.C2H4O2/c1-2-5-4-6-3-1;1-2(3)4/h1-4H;1H3,(H,3,4)
InChIKeyWRMCZHYLTVSDQU-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.57
Rot. Bonds

About acetic acid;pyrimidine

acetic acid;pyrimidine (PubChem CID 15758414) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is acetic acid;pyrimidine.

Molecular Properties

Compound Nameacetic acid;pyrimidine
PubChem CID15758414
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Nameacetic acid;pyrimidine
SMILESCC(=O)O.c1cncnc1
InChIInChI=1S/C4H4N2.C2H4O2/c1-2-5-4-6-3-1;1-2(3)4/h1-4H;1H3,(H,3,4)
InChIKeyWRMCZHYLTVSDQU-UHFFFAOYSA-N
XLogP0.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;pyrimidine?
The IUPAC name of acetic acid;pyrimidine (CID 15758414) is acetic acid;pyrimidine.
What is the SMILES notation for acetic acid;pyrimidine?
The canonical SMILES for acetic acid;pyrimidine is CC(=O)O.c1cncnc1.
What is the InChIKey of acetic acid;pyrimidine?
The InChIKey is WRMCZHYLTVSDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H4O2/c1-2-5-4-6-3-1;1-2(3)4/h1-4H;1H3,(H,3,4).
What are the key properties of acetic acid;pyrimidine?
acetic acid;pyrimidine has a molecular weight of 140.14 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pyrimidine is sourced from PubChem (CID 15758414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).