2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

C16H21FN6 — CID 165432979

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(c3ccc(F)cn3)CC2)n1
InChIInChI=1S/C16H21FN6/c1-12-10-15(21(2)3)20-16(19-12)23-8-6-22(7-9-23)14-5-4-13(17)11-18-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyOSQZISJKATVVLK-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.71
Rot. Bonds3

About 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 165432979) has the molecular formula C16H21FN6 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
PubChem CID165432979
Molecular FormulaC16H21FN6
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(c3ccc(F)cn3)CC2)n1
InChIInChI=1S/C16H21FN6/c1-12-10-15(21(2)3)20-16(19-12)23-8-6-22(7-9-23)14-5-4-13(17)11-18-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyOSQZISJKATVVLK-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (CID 165432979) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(c3ccc(F)cn3)CC2)n1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is OSQZISJKATVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6/c1-12-10-15(21(2)3)20-16(19-12)23-8-6-22(7-9-23)14-5-4-13(17)11-18-14/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 316.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 165432979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).