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

C15H18N2O4 — CID 3091435

IUPACpropan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-8(2)21-14(19)12-9(3)16-15(20)17-13(12)10-4-6-11(18)7-5-10/h4-8,13,18H,1-3H3,(H2,16,17,20)
InChIKeyDKSOWDYGYICLPV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.97
Rot. Bonds3

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

propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3091435) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3091435
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namepropan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C15H18N2O4/c1-8(2)21-14(19)12-9(3)16-15(20)17-13(12)10-4-6-11(18)7-5-10/h4-8,13,18H,1-3H3,(H2,16,17,20)
InChIKeyDKSOWDYGYICLPV-UHFFFAOYSA-N
XLogP1.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3091435) is propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccc(O)cc2)NC(=O)N1.
What is the InChIKey of propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is DKSOWDYGYICLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8(2)21-14(19)12-9(3)16-15(20)17-13(12)10-4-6-11(18)7-5-10/h4-8,13,18H,1-3H3,(H2,16,17,20).
What are the key properties of propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3091435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).