phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

C13H13N3O4 — CID 10945667

IUPACphenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCOc1cc(OC)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyMESPVSMSORHLAX-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.10
Rot. Bonds4

About phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (PubChem CID 10945667) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
PubChem CID10945667
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namephenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCOc1cc(OC)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKeyMESPVSMSORHLAX-UHFFFAOYSA-N
XLogP2.10
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The IUPAC name of phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (CID 10945667) is phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The canonical SMILES for phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate is COc1cc(OC)nc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The InChIKey is MESPVSMSORHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17).
What are the key properties of phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate has a molecular weight of 275.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate is sourced from PubChem (CID 10945667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).