N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine

C17H18N4 — CID 63867940

IUPACN-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccnc3ccccc23)nc(C)c1C
InChIInChI=1S/C17H18N4/c1-4-18-16-11(2)12(3)20-17(21-16)14-9-10-19-15-8-6-5-7-13(14)15/h5-10H,4H2,1-3H3,(H,18,20,21)
InChIKeyGEJJTSNXGUHHJK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.74
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 63867940) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID63867940
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccnc3ccccc23)nc(C)c1C
InChIInChI=1S/C17H18N4/c1-4-18-16-11(2)12(3)20-17(21-16)14-9-10-19-15-8-6-5-7-13(14)15/h5-10H,4H2,1-3H3,(H,18,20,21)
InChIKeyGEJJTSNXGUHHJK-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine (CID 63867940) is N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine is CCNc1nc(-c2ccnc3ccccc23)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is GEJJTSNXGUHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-4-18-16-11(2)12(3)20-17(21-16)14-9-10-19-15-8-6-5-7-13(14)15/h5-10H,4H2,1-3H3,(H,18,20,21).
What are the key properties of N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63867940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).