5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one

C16H26N4O — CID 4215414

IUPAC5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(Cc2ncc(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)12-15-17-11-14(16(21)18-15)13-5-3-2-4-6-13/h11,13H,2-10,12H2,1H3,(H,17,18,21)
InChIKeyWYQJDYYUVNUXQL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds3

About 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one

5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 4215414) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
PubChem CID4215414
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(Cc2ncc(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)12-15-17-11-14(16(21)18-15)13-5-3-2-4-6-13/h11,13H,2-10,12H2,1H3,(H,17,18,21)
InChIKeyWYQJDYYUVNUXQL-UHFFFAOYSA-N
XLogP1.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one (CID 4215414) is 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one is CN1CCN(Cc2ncc(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is WYQJDYYUVNUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)12-15-17-11-14(16(21)18-15)13-5-3-2-4-6-13/h11,13H,2-10,12H2,1H3,(H,17,18,21).
What are the key properties of 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one?
5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 290.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 4215414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).