propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C10H16N2O3 — CID 647276

IUPACpropan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(C)NC(=O)N1
InChIInChI=1S/C10H16N2O3/c1-5(2)15-9(13)8-6(3)11-10(14)12-7(8)4/h5-6H,1-4H3,(H2,11,12,14)
InChIKeyTXNVABXLPVOFQZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.91
Rot. Bonds2

About propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 647276) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID647276
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namepropan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(C)NC(=O)N1
InChIInChI=1S/C10H16N2O3/c1-5(2)15-9(13)8-6(3)11-10(14)12-7(8)4/h5-6H,1-4H3,(H2,11,12,14)
InChIKeyTXNVABXLPVOFQZ-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 647276) is propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(C)NC(=O)N1.
What is the InChIKey of propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is TXNVABXLPVOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)15-9(13)8-6(3)11-10(14)12-7(8)4/h5-6H,1-4H3,(H2,11,12,14).
What are the key properties of propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 647276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).