8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

C12H13N3O2 — CID 118710730

IUPAC8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESCN1CCCn2c1nc1ccc(O)cc1c2=O
InChIInChI=1S/C12H13N3O2/c1-14-5-2-6-15-11(17)9-7-8(16)3-4-10(9)13-12(14)15/h3-4,7,16H,2,5-6H2,1H3
InChIKeyMYLZNHKQKHWXGY-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.94
Rot. Bonds

About 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (PubChem CID 118710730) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
PubChem CID118710730
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESCN1CCCn2c1nc1ccc(O)cc1c2=O
InChIInChI=1S/C12H13N3O2/c1-14-5-2-6-15-11(17)9-7-8(16)3-4-10(9)13-12(14)15/h3-4,7,16H,2,5-6H2,1H3
InChIKeyMYLZNHKQKHWXGY-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (CID 118710730) is 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is CN1CCCn2c1nc1ccc(O)cc1c2=O.
What is the InChIKey of 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The InChIKey is MYLZNHKQKHWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-5-2-6-15-11(17)9-7-8(16)3-4-10(9)13-12(14)15/h3-4,7,16H,2,5-6H2,1H3.
What are the key properties of 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one has a molecular weight of 231.25 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-methyl-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 118710730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).