4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine

C11H18FN5 — CID 80833954

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CN(c2nc(N)ncc2F)CCN1C
InChIInChI=1S/C11H18FN5/c1-3-8-7-17(5-4-16(8)2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyRFZBPJBOQNHHNP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.73
Rot. Bonds2

About 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine

4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80833954) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80833954
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CN(c2nc(N)ncc2F)CCN1C
InChIInChI=1S/C11H18FN5/c1-3-8-7-17(5-4-16(8)2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyRFZBPJBOQNHHNP-UHFFFAOYSA-N
XLogP0.73
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine (CID 80833954) is 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine is CCC1CN(c2nc(N)ncc2F)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is RFZBPJBOQNHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-3-8-7-17(5-4-16(8)2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine?
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).