2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione

C7H10N2O2 — CID 70411664

IUPAC2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione
SMILESCC(C)C1=NCC(=O)C(=O)N1
InChIInChI=1S/C7H10N2O2/c1-4(2)6-8-3-5(10)7(11)9-6/h4H,3H2,1-2H3,(H,8,9,11)
InChIKeyMTAKLQGYPJOBMR-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.26
Rot. Bonds1

About 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione

2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione (PubChem CID 70411664) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione.

Molecular Properties

Compound Name2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione
PubChem CID70411664
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione
SMILESCC(C)C1=NCC(=O)C(=O)N1
InChIInChI=1S/C7H10N2O2/c1-4(2)6-8-3-5(10)7(11)9-6/h4H,3H2,1-2H3,(H,8,9,11)
InChIKeyMTAKLQGYPJOBMR-UHFFFAOYSA-N
XLogP-0.26
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,4-dihydropyrimidine-5,6-dione
CID 21139506
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
2-Tert-butyl-1,4-dihydropyrimidine-5,6-dione
CID 70411574
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355
2-(2-Aminoethyl)-5-methyl-1,4,5,6-tetrahydropyrimidine-4,6-dione dihydrochloride
CID 71757360
2-(2-Aminoethyl)-5-methylpyrimidine-4,6(1H,5H)-dione
CID 71757361
2-(3-aminopropyl)-5-methyl-1H-pyrimidine-4,6-dione
CID 79501561
5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 79502171
2-(1-aminopropan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
CID 79502330

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione?
The IUPAC name of 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione (CID 70411664) is 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione.
What is the SMILES notation for 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione?
The canonical SMILES for 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione is CC(C)C1=NCC(=O)C(=O)N1.
What is the InChIKey of 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione?
The InChIKey is MTAKLQGYPJOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)6-8-3-5(10)7(11)9-6/h4H,3H2,1-2H3,(H,8,9,11).
What are the key properties of 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione?
2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione has a molecular weight of 154.17 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4-dihydropyrimidine-5,6-dione is sourced from PubChem (CID 70411664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).