4H-pyrimido[2,1-b]quinazoline

C11H9N3 — CID 70598125

IUPAC4H-pyrimido[2,1-b]quinazoline
SMILESC1=CN=C2N=c3ccccc3=CN2C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-7-3-6-12-11(14)13-10/h1-6,8H,7H2
InChIKeyIZSUOEVNUJXTBQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds

About 4H-pyrimido[2,1-b]quinazoline

4H-pyrimido[2,1-b]quinazoline (PubChem CID 70598125) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4H-pyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name4H-pyrimido[2,1-b]quinazoline
PubChem CID70598125
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4H-pyrimido[2,1-b]quinazoline
SMILESC1=CN=C2N=c3ccccc3=CN2C1
InChIInChI=1S/C11H9N3/c1-2-5-10-9(4-1)8-14-7-3-6-12-11(14)13-10/h1-6,8H,7H2
InChIKeyIZSUOEVNUJXTBQ-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

Analyze 4H-pyrimido[2,1-b]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-pyrimido[2,1-b]quinazoline?
The IUPAC name of 4H-pyrimido[2,1-b]quinazoline (CID 70598125) is 4H-pyrimido[2,1-b]quinazoline.
What is the SMILES notation for 4H-pyrimido[2,1-b]quinazoline?
The canonical SMILES for 4H-pyrimido[2,1-b]quinazoline is C1=CN=C2N=c3ccccc3=CN2C1.
What is the InChIKey of 4H-pyrimido[2,1-b]quinazoline?
The InChIKey is IZSUOEVNUJXTBQ-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/h1-6,8H,7H2.
What are the key properties of 4H-pyrimido[2,1-b]quinazoline?
4H-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 4H-pyrimido[2,1-b]quinazoline is sourced from PubChem (CID 70598125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).