4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine

C16H25FN4 — CID 133420970

IUPAC4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(N2CCN(C3CCCCC3)CC2)c1F
InChIInChI=1S/C16H25FN4/c1-2-14-15(17)16(19-12-18-14)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyGSDJBHNYTOGYPL-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.63
Rot. Bonds3

About 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine

4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine (PubChem CID 133420970) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
PubChem CID133420970
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(N2CCN(C3CCCCC3)CC2)c1F
InChIInChI=1S/C16H25FN4/c1-2-14-15(17)16(19-12-18-14)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyGSDJBHNYTOGYPL-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine (CID 133420970) is 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine is CCc1ncnc(N2CCN(C3CCCCC3)CC2)c1F.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine?
The InChIKey is GSDJBHNYTOGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-2-14-15(17)16(19-12-18-14)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3.
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine?
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine has a molecular weight of 292.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 133420970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).