3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C16H25N3O2 — CID 3571735

IUPAC3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H25N3O2/c1-12-7-9-18(10-8-12)14-11-15(20)19(16(21)17-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyWUSFGGBBGXSBEN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.28
Rot. Bonds2

About 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3571735) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3571735
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H25N3O2/c1-12-7-9-18(10-8-12)14-11-15(20)19(16(21)17-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyWUSFGGBBGXSBEN-UHFFFAOYSA-N
XLogP2.28
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 3571735) is 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is CC1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WUSFGGBBGXSBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-9-18(10-8-12)14-11-15(20)19(16(21)17-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,17,21).
What are the key properties of 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 291.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3571735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).