4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C12H20FN5 — CID 80834380

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC1CN(c2nc(NC)ncc2F)CCN1C
InChIInChI=1S/C12H20FN5/c1-4-9-8-18(6-5-17(9)3)11-10(13)7-15-12(14-2)16-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyBRMHZMRZLQUJHE-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.19
Rot. Bonds3

About 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80834380) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80834380
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC1CN(c2nc(NC)ncc2F)CCN1C
InChIInChI=1S/C12H20FN5/c1-4-9-8-18(6-5-17(9)3)11-10(13)7-15-12(14-2)16-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyBRMHZMRZLQUJHE-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.19
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-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80834380) is 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CCC1CN(c2nc(NC)ncc2F)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is BRMHZMRZLQUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-4-9-8-18(6-5-17(9)3)11-10(13)7-15-12(14-2)16-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 1.19, 3 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-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80834380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).