2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione

C9H14N4O2 — CID 53215288

IUPAC2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
SMILESCN1CCN(C2=NC(=O)CC(=O)N2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h2-6H2,1H3,(H,10,11,14,15)
InChIKeyZKPSHNHUDPKIKJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.36
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione

2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione (PubChem CID 53215288) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
PubChem CID53215288
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
SMILESCN1CCN(C2=NC(=O)CC(=O)N2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h2-6H2,1H3,(H,10,11,14,15)
InChIKeyZKPSHNHUDPKIKJ-UHFFFAOYSA-N
XLogP-1.36
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
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
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-one
CID 3823704
2-(4-ethylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215289

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione (CID 53215288) is 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione is CN1CCN(C2=NC(=O)CC(=O)N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is ZKPSHNHUDPKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9-10-7(14)6-8(15)11-9/h2-6H2,1H3,(H,10,11,14,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 210.24 g/mol, XLogP of -1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 53215288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).