1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one

C11H15N3O — CID 135443711

IUPAC1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2c(nc3n1CCCN3)CCCC2
InChIInChI=1S/C11H15N3O/c15-10-8-4-1-2-5-9(8)13-11-12-6-3-7-14(10)11/h1-7H2,(H,12,13)
InChIKeySGDFOFWTTIZZQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.94
Rot. Bonds

About 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one

1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (PubChem CID 135443711) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
PubChem CID135443711
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2c(nc3n1CCCN3)CCCC2
InChIInChI=1S/C11H15N3O/c15-10-8-4-1-2-5-9(8)13-11-12-6-3-7-14(10)11/h1-7H2,(H,12,13)
InChIKeySGDFOFWTTIZZQP-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (CID 135443711) is 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is O=c1c2c(nc3n1CCCN3)CCCC2.
What is the InChIKey of 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is SGDFOFWTTIZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-10-8-4-1-2-5-9(8)13-11-12-6-3-7-14(10)11/h1-7H2,(H,12,13).
What are the key properties of 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one has a molecular weight of 205.26 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 135443711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).