5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C17H25FN4 — CID 70849449

IUPAC5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(C3CC=C(F)CC3)cn2)CC1
InChIInChI=1S/C17H25FN4/c1-13(2)21-7-9-22(10-8-21)17-19-11-15(12-20-17)14-3-5-16(18)6-4-14/h5,11-14H,3-4,6-10H2,1-2H3
InChIKeyAVQBKSLNGNDOKH-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.13
Rot. Bonds3

About 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 70849449) has the molecular formula C17H25FN4 and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID70849449
Molecular FormulaC17H25FN4
Molecular Weight304.41 g/mol
Exact Mass304.21
IUPAC Name5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(C3CC=C(F)CC3)cn2)CC1
InChIInChI=1S/C17H25FN4/c1-13(2)21-7-9-22(10-8-21)17-19-11-15(12-20-17)14-3-5-16(18)6-4-14/h5,11-14H,3-4,6-10H2,1-2H3
InChIKeyAVQBKSLNGNDOKH-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 70849449) is 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CC(C)N1CCN(c2ncc(C3CC=C(F)CC3)cn2)CC1.
What is the InChIKey of 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is AVQBKSLNGNDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4/c1-13(2)21-7-9-22(10-8-21)17-19-11-15(12-20-17)14-3-5-16(18)6-4-14/h5,11-14H,3-4,6-10H2,1-2H3.
What are the key properties of 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 304.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohex-3-en-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 70849449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).