6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione

C12H16ClN3O3 — CID 178165250

IUPAC6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CCN(C2COC2)CC1
InChIInChI=1S/C12H16ClN3O3/c13-10-5-11(17)16(12(18)14-10)8-1-3-15(4-2-8)9-6-19-7-9/h5,8-9H,1-4,6-7H2,(H,14,18)
InChIKeyXROSWCYRPZFCJZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.23
Rot. Bonds2

About 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione

6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione (PubChem CID 178165250) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione
PubChem CID178165250
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1C1CCN(C2COC2)CC1
InChIInChI=1S/C12H16ClN3O3/c13-10-5-11(17)16(12(18)14-10)8-1-3-15(4-2-8)9-6-19-7-9/h5,8-9H,1-4,6-7H2,(H,14,18)
InChIKeyXROSWCYRPZFCJZ-UHFFFAOYSA-N
XLogP0.23
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione (CID 178165250) is 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1C1CCN(C2COC2)CC1.
What is the InChIKey of 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XROSWCYRPZFCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-10-5-11(17)16(12(18)14-10)8-1-3-15(4-2-8)9-6-19-7-9/h5,8-9H,1-4,6-7H2,(H,14,18).
What are the key properties of 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione?
6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 285.73 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(oxetan-3-yl)piperidin-4-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178165250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).