4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

C19H21FN6O — CID 118986953

IUPAC4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(N(C)C)nc2)n1
InChIInChI=1S/C19H21FN6O/c1-26(2)16-9-6-14(12-22-16)17-23-18(25-19(24-17)27-3)21-11-10-13-4-7-15(20)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,23,24,25)
InChIKeyQSILUSAQXPJZFY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.80
Rot. Bonds7

About 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 118986953) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID118986953
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(N(C)C)nc2)n1
InChIInChI=1S/C19H21FN6O/c1-26(2)16-9-6-14(12-22-16)17-23-18(25-19(24-17)27-3)21-11-10-13-4-7-15(20)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,23,24,25)
InChIKeyQSILUSAQXPJZFY-UHFFFAOYSA-N
XLogP2.80
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 118986953) is 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(N(C)C)nc2)n1.
What is the InChIKey of 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is QSILUSAQXPJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-26(2)16-9-6-14(12-22-16)17-23-18(25-19(24-17)27-3)21-11-10-13-4-7-15(20)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,23,24,25).
What are the key properties of 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 368.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-3-pyridinyl]-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 118986953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).