methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate

C16H16N2O4 — CID 137027779

IUPACmethyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-21-16(20)12-13(22-9-10-5-3-2-4-6-10)15(19)18-14(17-12)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,17,18,19)
InChIKeyYALYTHGJKOJADW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate

methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate (PubChem CID 137027779) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
PubChem CID137027779
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-21-16(20)12-13(22-9-10-5-3-2-4-6-10)15(19)18-14(17-12)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,17,18,19)
InChIKeyYALYTHGJKOJADW-UHFFFAOYSA-N
XLogP2.01
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate (CID 137027779) is methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate?
The InChIKey is YALYTHGJKOJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-16(20)12-13(22-9-10-5-3-2-4-6-10)15(19)18-14(17-12)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,17,18,19).
What are the key properties of methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate?
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 137027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).