3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C20H28N6O — CID 56699001

IUPAC3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H28N6O/c27-20(7-6-17-4-2-1-3-5-17)25-12-10-24(11-13-25)18-14-19(23-15-22-18)26-9-8-21-16-26/h8-9,14-17H,1-7,10-13H2
InChIKeyUONJVNGPLGMQGR-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.67
Rot. Bonds5

About 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 56699001) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID56699001
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H28N6O/c27-20(7-6-17-4-2-1-3-5-17)25-12-10-24(11-13-25)18-14-19(23-15-22-18)26-9-8-21-16-26/h8-9,14-17H,1-7,10-13H2
InChIKeyUONJVNGPLGMQGR-UHFFFAOYSA-N
XLogP2.67
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 56699001) is 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is UONJVNGPLGMQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(7-6-17-4-2-1-3-5-17)25-12-10-24(11-13-25)18-14-19(23-15-22-18)26-9-8-21-16-26/h8-9,14-17H,1-7,10-13H2.
What are the key properties of 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 368.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56699001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).