4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride

C4H8Cl2N2O — CID 172692669

IUPAC4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=C1CCN=CN1
InChIInChI=1S/C4H6N2O.2ClH/c7-4-1-2-5-3-6-4;;/h3H,1-2H2,(H,5,6,7);2*1H
InChIKeyBWXAJZTXNKRWOW-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.38
Rot. Bonds

About 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride

4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 172692669) has the molecular formula C4H8Cl2N2O and a molecular weight of 171.03 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride
PubChem CID172692669
Molecular FormulaC4H8Cl2N2O
Molecular Weight171.03 g/mol
Exact Mass170.00
IUPAC Name4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=C1CCN=CN1
InChIInChI=1S/C4H6N2O.2ClH/c7-4-1-2-5-3-6-4;;/h3H,1-2H2,(H,5,6,7);2*1H
InChIKeyBWXAJZTXNKRWOW-UHFFFAOYSA-N
XLogP0.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride (CID 172692669) is 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.O=C1CCN=CN1.
What is the InChIKey of 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is BWXAJZTXNKRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.2ClH/c7-4-1-2-5-3-6-4;;/h3H,1-2H2,(H,5,6,7);2*1H.
What are the key properties of 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride?
4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 172692669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).