acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine

C8H16N2O2 — CID 86143017

IUPACacetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCC(=O)O.CC1=NCCCN1C
InChIInChI=1S/C6H12N2.C2H4O2/c1-6-7-4-3-5-8(6)2;1-2(3)4/h3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyUKCABUMWTASXOL-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.83
Rot. Bonds

About acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine

acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 86143017) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Nameacetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine
PubChem CID86143017
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameacetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCC(=O)O.CC1=NCCCN1C
InChIInChI=1S/C6H12N2.C2H4O2/c1-6-7-4-3-5-8(6)2;1-2(3)4/h3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyUKCABUMWTASXOL-UHFFFAOYSA-N
XLogP0.83
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine (CID 86143017) is acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine is CC(=O)O.CC1=NCCCN1C.
What is the InChIKey of acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is UKCABUMWTASXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H4O2/c1-6-7-4-3-5-8(6)2;1-2(3)4/h3-5H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine?
acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 172.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-dimethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 86143017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).