4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N5O — CID 136978566

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C3CNC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O/c1-10(2)14-16-12(7-13(20)17-14)19-5-3-18(4-6-19)11-8-15-9-11/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,20)
InChIKeyZWMNNMPQDVTSDZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.01
Rot. Bonds3

About 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136978566) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136978566
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C3CNC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O/c1-10(2)14-16-12(7-13(20)17-14)19-5-3-18(4-6-19)11-8-15-9-11/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,20)
InChIKeyZWMNNMPQDVTSDZ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136978566) is 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C3CNC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZWMNNMPQDVTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)14-16-12(7-13(20)17-14)19-5-3-18(4-6-19)11-8-15-9-11/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,16,17,20).
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).