6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride

C7H11Cl2N3O — CID 141077396

IUPAC6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc2n1CCCN2
InChIInChI=1S/C7H9N3O.2ClH/c11-6-2-4-9-7-8-3-1-5-10(6)7;;/h2,4H,1,3,5H2,(H,8,9);2*1H
InChIKeyAHYZZEPWDLKLSN-UHFFFAOYSA-N
MW224.09 g/mol
LogP0.90
Rot. Bonds

About 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride

6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride (PubChem CID 141077396) has the molecular formula C7H11Cl2N3O and a molecular weight of 224.09 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride
PubChem CID141077396
Molecular FormulaC7H11Cl2N3O
Molecular Weight224.09 g/mol
Exact Mass223.03
IUPAC Name6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccnc2n1CCCN2
InChIInChI=1S/C7H9N3O.2ClH/c11-6-2-4-9-7-8-3-1-5-10(6)7;;/h2,4H,1,3,5H2,(H,8,9);2*1H
InChIKeyAHYZZEPWDLKLSN-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride (CID 141077396) is 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride is Cl.Cl.O=c1ccnc2n1CCCN2.
What is the InChIKey of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride?
The InChIKey is AHYZZEPWDLKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.2ClH/c11-6-2-4-9-7-8-3-1-5-10(6)7;;/h2,4H,1,3,5H2,(H,8,9);2*1H.
What are the key properties of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride?
6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride has a molecular weight of 224.09 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 141077396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).