6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine

C11H12N4 — CID 57114569

IUPAC6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine
SMILESNc1c2c(nc3ncncc13)CCCC2
InChIInChI=1S/C11H12N4/c12-10-7-3-1-2-4-9(7)15-11-8(10)5-13-6-14-11/h5-6H,1-4H2,(H2,12,13,14,15)
InChIKeyXEWLCAGYRAPEMR-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.49
Rot. Bonds

About 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine

6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine (PubChem CID 57114569) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine
PubChem CID57114569
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine
SMILESNc1c2c(nc3ncncc13)CCCC2
InChIInChI=1S/C11H12N4/c12-10-7-3-1-2-4-9(7)15-11-8(10)5-13-6-14-11/h5-6H,1-4H2,(H2,12,13,14,15)
InChIKeyXEWLCAGYRAPEMR-UHFFFAOYSA-N
XLogP1.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine?
The IUPAC name of 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine (CID 57114569) is 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine.
What is the SMILES notation for 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine?
The canonical SMILES for 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine is Nc1c2c(nc3ncncc13)CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine?
The InChIKey is XEWLCAGYRAPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10-7-3-1-2-4-9(7)15-11-8(10)5-13-6-14-11/h5-6H,1-4H2,(H2,12,13,14,15).
What are the key properties of 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine?
6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine has a molecular weight of 200.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-5-amine is sourced from PubChem (CID 57114569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).