4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 136978401

IUPAC4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-10(2)6-11-3-4-14(10)8-5-9(15)13-7-12-8/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyLCCKUCRLPYGSDO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds1

About 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136978401) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136978401
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-10(2)6-11-3-4-14(10)8-5-9(15)13-7-12-8/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyLCCKUCRLPYGSDO-UHFFFAOYSA-N
XLogP-0.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136978401) is 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1(C)CNCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LCCKUCRLPYGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2)6-11-3-4-14(10)8-5-9(15)13-7-12-8/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).