1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one

C17H21N3O — CID 10902113

IUPAC1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one
SMILESO=C1CCN(C2CCCCC2)C2=Nc3ccccc3CN12
InChIInChI=1S/C17H21N3O/c21-16-10-11-19(14-7-2-1-3-8-14)17-18-15-9-5-4-6-13(15)12-20(16)17/h4-6,9,14H,1-3,7-8,10-12H2
InChIKeyYCOSXOYTRBNEKN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds1

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

1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one (PubChem CID 10902113) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one
PubChem CID10902113
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one
SMILESO=C1CCN(C2CCCCC2)C2=Nc3ccccc3CN12
InChIInChI=1S/C17H21N3O/c21-16-10-11-19(14-7-2-1-3-8-14)17-18-15-9-5-4-6-13(15)12-20(16)17/h4-6,9,14H,1-3,7-8,10-12H2
InChIKeyYCOSXOYTRBNEKN-UHFFFAOYSA-N
XLogP3.05
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one?
The IUPAC name of 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one (CID 10902113) is 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one.
What is the SMILES notation for 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one?
The canonical SMILES for 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one is O=C1CCN(C2CCCCC2)C2=Nc3ccccc3CN12.
What is the InChIKey of 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one?
The InChIKey is YCOSXOYTRBNEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16-10-11-19(14-7-2-1-3-8-14)17-18-15-9-5-4-6-13(15)12-20(16)17/h4-6,9,14H,1-3,7-8,10-12H2.
What are the key properties of 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one?
1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one has a molecular weight of 283.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one is sourced from PubChem (CID 10902113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).