2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

C11H18FN5 — CID 79666297

IUPAC2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CN(C)CCN2C)nc(N)c1F
InChIInChI=1S/C11H18FN5/c1-7-9(12)10(13)15-11(14-7)8-6-16(2)4-5-17(8)3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyIZXDYVZLCKVLRA-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.42
Rot. Bonds1

About 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 79666297) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID79666297
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CN(C)CCN2C)nc(N)c1F
InChIInChI=1S/C11H18FN5/c1-7-9(12)10(13)15-11(14-7)8-6-16(2)4-5-17(8)3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyIZXDYVZLCKVLRA-UHFFFAOYSA-N
XLogP0.42
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 79666297) is 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(C2CN(C)CCN2C)nc(N)c1F.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is IZXDYVZLCKVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-7-9(12)10(13)15-11(14-7)8-6-16(2)4-5-17(8)3/h8H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).