2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione

C8H12N2O2 — CID 131291765

IUPAC2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C(C)C)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,6H,1-3H3,(H,9,10,11,12)
InChIKeyHPMBYNZRHWTEEI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.33
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione

2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 131291765) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
PubChem CID131291765
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C(C)C)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,6H,1-3H3,(H,9,10,11,12)
InChIKeyHPMBYNZRHWTEEI-UHFFFAOYSA-N
XLogP0.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Diethyl-2-methylpyrimidine-4,6-dione
CID 3763528
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)pentane-2,4-dione
CID 58934368
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
CID 75088261
2-propyl-1H-pyrimidine-4,6-dione
CID 134558394
N-(N-cyano-C-ethylcarbonimidoyl)-2-methyl-3-oxobutanamide
CID 142838636
ethane;2-methyl-1H-pyrimidine-4,6-dione
CID 144474077
1,2-Dimethyl-5-propan-2-ylpyrimidine-4,6-dione
CID 146614605
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-Cyclopropyl-4,6(1H,5H)-pyrimidinedione
CID 42609068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione (CID 131291765) is 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(C(C)C)C(=O)N1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is HPMBYNZRHWTEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4,6H,1-3H3,(H,9,10,11,12).
What are the key properties of 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 168.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 131291765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).