4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine

C13H14N4 — CID 79910683

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
SMILESNc1cncnc1N1CCCc2ccccc21
InChIInChI=1S/C13H14N4/c14-11-8-15-9-16-13(11)17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,8-9H,3,5,7,14H2
InChIKeyJLJOYEHZDPUPPT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.14
Rot. Bonds1

About 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine

4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine (PubChem CID 79910683) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
PubChem CID79910683
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
SMILESNc1cncnc1N1CCCc2ccccc21
InChIInChI=1S/C13H14N4/c14-11-8-15-9-16-13(11)17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,8-9H,3,5,7,14H2
InChIKeyJLJOYEHZDPUPPT-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine (CID 79910683) is 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine is Nc1cncnc1N1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine?
The InChIKey is JLJOYEHZDPUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-11-8-15-9-16-13(11)17-7-3-5-10-4-1-2-6-12(10)17/h1-2,4,6,8-9H,3,5,7,14H2.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine has a molecular weight of 226.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 79910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).