[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H24FN5O — CID 75470607

IUPAC[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ncnc(N2CCCC2C(=O)N2CCN(C)CC2)c1F
InChIInChI=1S/C16H24FN5O/c1-3-12-14(17)15(19-11-18-12)22-6-4-5-13(22)16(23)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3
InChIKeyNBBDZLDURNJAHW-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.92
Rot. Bonds3

About [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 75470607) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID75470607
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ncnc(N2CCCC2C(=O)N2CCN(C)CC2)c1F
InChIInChI=1S/C16H24FN5O/c1-3-12-14(17)15(19-11-18-12)22-6-4-5-13(22)16(23)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3
InChIKeyNBBDZLDURNJAHW-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 75470607) is [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone is CCc1ncnc(N2CCCC2C(=O)N2CCN(C)CC2)c1F.
What is the InChIKey of [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NBBDZLDURNJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O/c1-3-12-14(17)15(19-11-18-12)22-6-4-5-13(22)16(23)21-9-7-20(2)8-10-21/h11,13H,3-10H2,1-2H3.
What are the key properties of [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 321.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 75470607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).