5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione

C10H16N4O2 — CID 79502192

IUPAC5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C10H16N4O2/c1-10(2)7(15)12-9(13-8(10)16)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15,16)
InChIKeyMQSRXIVOGDBZDD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.07
Rot. Bonds

About 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione

5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 79502192) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID79502192
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(N2CCNCC2)NC1=O
InChIInChI=1S/C10H16N4O2/c1-10(2)7(15)12-9(13-8(10)16)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15,16)
InChIKeyMQSRXIVOGDBZDD-UHFFFAOYSA-N
XLogP-1.07
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 20715743
3-[[formamido-(4-methylpiperazin-1-yl)methylidene]amino]-N-methylpropanamide
CID 118617365
N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
CID 122608808
N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide
CID 167084900
1-[4-(2-Amino-1,4,5,6-tetrahydropyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 178696367
[2-(dimethylamino)-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-piperazin-1-ylmethanone
CID 178907011
2-(4-methylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215288
2-(4-ethylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215289
5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 76998598
2-piperazin-1-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998599

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione (CID 79502192) is 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is CC1(C)C(=O)N=C(N2CCNCC2)NC1=O.
What is the InChIKey of 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is MQSRXIVOGDBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2)7(15)12-9(13-8(10)16)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15,16).
What are the key properties of 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione?
5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 224.26 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).