2H-pyrimido[2,1-b]quinazoline

C11H9N3 — CID 23336415

IUPAC2H-pyrimido[2,1-b]quinazoline
SMILESC1=CN2C=c3ccccc3=NC2=NC1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-7-3-6-12-11(14)13-10/h1-5,7-8H,6H2
InChIKeyDKMZABUIERYCPQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds

About 2H-pyrimido[2,1-b]quinazoline

2H-pyrimido[2,1-b]quinazoline (PubChem CID 23336415) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2H-pyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name2H-pyrimido[2,1-b]quinazoline
PubChem CID23336415
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2H-pyrimido[2,1-b]quinazoline
SMILESC1=CN2C=c3ccccc3=NC2=NC1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-7-3-6-12-11(14)13-10/h1-5,7-8H,6H2
InChIKeyDKMZABUIERYCPQ-UHFFFAOYSA-N
XLogP0.24
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimido[2,1-b]quinazoline?
The IUPAC name of 2H-pyrimido[2,1-b]quinazoline (CID 23336415) is 2H-pyrimido[2,1-b]quinazoline.
What is the SMILES notation for 2H-pyrimido[2,1-b]quinazoline?
The canonical SMILES for 2H-pyrimido[2,1-b]quinazoline is C1=CN2C=c3ccccc3=NC2=NC1.
What is the InChIKey of 2H-pyrimido[2,1-b]quinazoline?
The InChIKey is DKMZABUIERYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-7-3-6-12-11(14)13-10/h1-5,7-8H,6H2.
What are the key properties of 2H-pyrimido[2,1-b]quinazoline?
2H-pyrimido[2,1-b]quinazoline has a molecular weight of 183.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimido[2,1-b]quinazoline is sourced from PubChem (CID 23336415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).