phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate

C19H14ClN3O5 — CID 46184507

IUPACphenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate
SMILESCOc1cc(Cl)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C19H14ClN3O5/c1-26-16-12-15(20)21-17(22-16)23(18(24)27-13-8-4-2-5-9-13)19(25)28-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyWIKATPFLEBYFET-UHFFFAOYSA-N
MW399.79 g/mol
LogP4.34
Rot. Bonds4

About phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate

phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate (PubChem CID 46184507) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Namephenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate
PubChem CID46184507
Molecular FormulaC19H14ClN3O5
Molecular Weight399.79 g/mol
Exact Mass399.06
IUPAC Namephenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate
SMILESCOc1cc(Cl)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C19H14ClN3O5/c1-26-16-12-15(20)21-17(22-16)23(18(24)27-13-8-4-2-5-9-13)19(25)28-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyWIKATPFLEBYFET-UHFFFAOYSA-N
XLogP4.34
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate?
The IUPAC name of phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate (CID 46184507) is phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate.
What is the SMILES notation for phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate?
The canonical SMILES for phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate is COc1cc(Cl)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate?
The InChIKey is WIKATPFLEBYFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c1-26-16-12-15(20)21-17(22-16)23(18(24)27-13-8-4-2-5-9-13)19(25)28-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate?
phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate has a molecular weight of 399.79 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 46184507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).