N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine

C17H18N4 — CID 80938836

IUPACN,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cnc3ccccc3c2)nc(CC)n1
InChIInChI=1S/C17H18N4/c1-3-16-20-15(10-17(21-16)18-4-2)13-9-12-7-5-6-8-14(12)19-11-13/h5-11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyNRRYAZGYKNPCSV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds4

About N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine

N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine (PubChem CID 80938836) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
PubChem CID80938836
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cnc3ccccc3c2)nc(CC)n1
InChIInChI=1S/C17H18N4/c1-3-16-20-15(10-17(21-16)18-4-2)13-9-12-7-5-6-8-14(12)19-11-13/h5-11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyNRRYAZGYKNPCSV-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine (CID 80938836) is N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine is CCNc1cc(-c2cnc3ccccc3c2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine?
The InChIKey is NRRYAZGYKNPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-16-20-15(10-17(21-16)18-4-2)13-9-12-7-5-6-8-14(12)19-11-13/h5-11H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine?
N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80938836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).