propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C14H18N2O4 — CID 2917545

IUPACpropan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)NC(=O)N1
InChIInChI=1S/C14H18N2O4/c1-7(2)19-13(17)11-9(4)15-14(18)16-12(11)10-6-5-8(3)20-10/h5-7,12H,1-4H3,(H2,15,16,18)
InChIKeyMHIKZXYSYIFUNK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.17
Rot. Bonds3

About propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2917545) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2917545
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namepropan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)NC(=O)N1
InChIInChI=1S/C14H18N2O4/c1-7(2)19-13(17)11-9(4)15-14(18)16-12(11)10-6-5-8(3)20-10/h5-7,12H,1-4H3,(H2,15,16,18)
InChIKeyMHIKZXYSYIFUNK-UHFFFAOYSA-N
XLogP2.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2917545) is propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)NC(=O)N1.
What is the InChIKey of propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is MHIKZXYSYIFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-7(2)19-13(17)11-9(4)15-14(18)16-12(11)10-6-5-8(3)20-10/h5-7,12H,1-4H3,(H2,15,16,18).
What are the key properties of propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2917545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).